butane;ethane;2-methylpropane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane

C78H154F6 — CID 160744950

IUPACbutane;ethane;2-methylpropane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane
SMILESCC.CC(C)C.CC1CCC2(CC1)CC(C)(C)CC(C)(C)C2.CC1CCC2(CC1)CCC(C)(C)CC2.CC1CCC2(CCCC2)CC1.CC1CCC2(CCCCC2)CC1.CCC.CCCC.CC[C@H](C)CC(F)(F)F.CC[C@H](C)CC(F)(F)F
InChIInChI=1S/C16H30.C14H26.C12H22.C11H20.2C6H11F3.2C4H10.C3H8.C2H6/c1-13-6-8-16(9-7-13)11-14(2,3)10-15(4,5)12-16;1-12-4-6-14(7-5-12)10-8-13(2,3)9-11-14;1-11-5-9-12(10-6-11)7-3-2-4-8-12;1-10-4-8-11(9-5-10)6-2-3-7-11;2*1-3-5(2)4-6(7,8)9;1-4(2)3;1-3-4-2;1-3-2;1-2/h13H,6-12H2,1-5H3;12H,4-11H2,1-3H3;11H,2-10H2,1H3;10H,2-9H2,1H3;2*5H,3-4H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3/t;;;;2*5-;;;;/m....00..../s1
InChIKeyRWBSFAJHEPFQJB-NFTAVLEPSA-N
MW1206.08 g/mol
LogP29.99
Rot. Bonds5

About butane;ethane;2-methylpropane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane

butane;ethane;2-methylpropane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane (PubChem CID 160744950) has the molecular formula C78H154F6 and a molecular weight of 1206.08 g/mol. Its IUPAC name is butane;ethane;2-methylpropane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane.

Molecular Properties

Compound Namebutane;ethane;2-methylpropane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane
PubChem CID160744950
Molecular FormulaC78H154F6
Molecular Weight1206.08 g/mol
Exact Mass1205.20
IUPAC Namebutane;ethane;2-methylpropane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane
SMILESCC.CC(C)C.CC1CCC2(CC1)CC(C)(C)CC(C)(C)C2.CC1CCC2(CC1)CCC(C)(C)CC2.CC1CCC2(CCCC2)CC1.CC1CCC2(CCCCC2)CC1.CCC.CCCC.CC[C@H](C)CC(F)(F)F.CC[C@H](C)CC(F)(F)F
InChIInChI=1S/C16H30.C14H26.C12H22.C11H20.2C6H11F3.2C4H10.C3H8.C2H6/c1-13-6-8-16(9-7-13)11-14(2,3)10-15(4,5)12-16;1-12-4-6-14(7-5-12)10-8-13(2,3)9-11-14;1-11-5-9-12(10-6-11)7-3-2-4-8-12;1-10-4-8-11(9-5-10)6-2-3-7-11;2*1-3-5(2)4-6(7,8)9;1-4(2)3;1-3-4-2;1-3-2;1-2/h13H,6-12H2,1-5H3;12H,4-11H2,1-3H3;11H,2-10H2,1H3;10H,2-9H2,1H3;2*5H,3-4H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3/t;;;;2*5-;;;;/m....00..../s1
InChIKeyRWBSFAJHEPFQJB-NFTAVLEPSA-N
XLogP29.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001206.08
LogP ≤ 529.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze butane;ethane;2-methylpropane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane with MolForge

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Related Compounds

butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;8-methylspiro[4.5]decane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane
CID 167654616
1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;8-methylspiro[4.5]decane;2,2,4,4,9-pentamethylspiro[5.5]undecane;bis(1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane
CID 163800313
butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;ethane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane)
CID 164947304
2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane
CID 164949281
butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;1,1-dideuterioethylcyclohexane;1,1-dideuterioethylcyclopentane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;8-methylspiro[4.5]decane;propane;3,3,9-trimethylspiro[5.5]undecane
CID 158813947
1,1-difluoro-4-methylcyclohexane;2,2-dimethylpropane;ethane;3-fluoro-3-methylpentane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylbutane;(3S)-1,1,1-trifluoro-3-methylpentane;1,1,1-trifluoro-2-methylpropane
CID 165087868
3-methylspiro[5.6]dodecane
CID 143797283
butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;bis(2-deuterio-2-methylpropane);2,2-dideuteriobutane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;ethane;2-methylpropane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane)
CID 165069934
butane;1-deuterio-1-methylcyclohexane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;2-methylpropane;pentane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);1,1,1-trifluoro-2-methylpropane
CID 159527713
butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2,2-dideuteriobutane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;ethane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane)
CID 161299096
1,1,1-trifluoro-3-methylpentane
CID 21020397
butane;2,2-dimethylbutane;3,3-dimethylpentane;ethane;2-methylbutane;3-methylpentane;2-methylpropane;1,1,3,3,5-pentamethylcyclohexane;propane;2,2,3-trimethylbutane;1,1,4-trimethylcyclohexane;2,3,4-trimethylpentane
CID 162094809

Frequently Asked Questions

What is the IUPAC name of butane;ethane;2-methylpropane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane?
The IUPAC name of butane;ethane;2-methylpropane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane (CID 160744950) is butane;ethane;2-methylpropane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane.
What is the SMILES notation for butane;ethane;2-methylpropane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane?
The canonical SMILES for butane;ethane;2-methylpropane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane is CC.CC(C)C.CC1CCC2(CC1)CC(C)(C)CC(C)(C)C2.CC1CCC2(CC1)CCC(C)(C)CC2.CC1CCC2(CCCC2)CC1.CC1CCC2(CCCCC2)CC1.CCC.CCCC.CC[C@H](C)CC(F)(F)F.CC[C@H](C)CC(F)(F)F.
What is the InChIKey of butane;ethane;2-methylpropane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane?
The InChIKey is RWBSFAJHEPFQJB-NFTAVLEPSA-N. The full InChI is InChI=1S/C16H30.C14H26.C12H22.C11H20.2C6H11F3.2C4H10.C3H8.C2H6/c1-13-6-8-16(9-7-13)11-14(2,3)10-15(4,5)12-16;1-12-4-6-14(7-5-12)10-8-13(2,3)9-11-14;1-11-5-9-12(10-6-11)7-3-2-4-8-12;1-10-4-8-11(9-5-10)6-2-3-7-11;2*1-3-5(2)4-6(7,8)9;1-4(2)3;1-3-4-2;1-3-2;1-2/h13H,6-12H2,1-5H3;12H,4-11H2,1-3H3;11H,2-10H2,1H3;10H,2-9H2,1H3;2*5H,3-4H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3/t;;;;2*5-;;;;/m....00..../s1.
What are the key properties of butane;ethane;2-methylpropane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane?
butane;ethane;2-methylpropane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane has a molecular weight of 1206.08 g/mol, XLogP of 29.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;2-methylpropane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane is sourced from PubChem (CID 160744950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).