butane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane

C22H50 — CID 143376403

IUPACbutane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane
SMILESCC.CC.CC(C)C1CC1C1CC1.CCCC.CCCCC
InChIInChI=1S/C9H16.C5H12.C4H10.2C2H6/c1-6(2)8-5-9(8)7-3-4-7;1-3-5-4-2;1-3-4-2;2*1-2/h6-9H,3-5H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;2*1-2H3
InChIKeyIXOWVUSWZDCUHH-UHFFFAOYSA-N
MW314.64 g/mol
LogP8.74
Rot. Bonds5

About butane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane

butane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane (PubChem CID 143376403) has the molecular formula C22H50 and a molecular weight of 314.64 g/mol. Its IUPAC name is butane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane.

Molecular Properties

Compound Namebutane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane
PubChem CID143376403
Molecular FormulaC22H50
Molecular Weight314.64 g/mol
Exact Mass314.39
IUPAC Namebutane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane
SMILESCC.CC.CC(C)C1CC1C1CC1.CCCC.CCCCC
InChIInChI=1S/C9H16.C5H12.C4H10.2C2H6/c1-6(2)8-5-9(8)7-3-4-7;1-3-5-4-2;1-3-4-2;2*1-2/h6-9H,3-5H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;2*1-2H3
InChIKeyIXOWVUSWZDCUHH-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.64
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-cyclopropylcyclopropyl)ethanol
CID 130149488
1-(2-cyclopropylcyclopropyl)ethanamine
CID 62313265
3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane
CID 175612432
2,5-di(propan-2-yl)bicyclo[2.2.2]octane
CID 140828495
1-hexan-2-yl-2-propan-2-ylcyclopropane
CID 123497501
2,4-dimethyl-1-(2-propan-2-ylcyclopropyl)cyclohexane
CID 123402643
(1R)-1-cyclopropyl-2-(dichloromethyl)cyclopropane
CID 89470038
2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 91278744
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210
tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 71403532
acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane
CID 143683759
2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane
CID 101318401

Frequently Asked Questions

What is the IUPAC name of butane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane?
The IUPAC name of butane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane (CID 143376403) is butane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane.
What is the SMILES notation for butane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane?
The canonical SMILES for butane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane is CC.CC.CC(C)C1CC1C1CC1.CCCC.CCCCC.
What is the InChIKey of butane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane?
The InChIKey is IXOWVUSWZDCUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.C5H12.C4H10.2C2H6/c1-6(2)8-5-9(8)7-3-4-7;1-3-5-4-2;1-3-4-2;2*1-2/h6-9H,3-5H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;2*1-2H3.
What are the key properties of butane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane?
butane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane has a molecular weight of 314.64 g/mol, XLogP of 8.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane is sourced from PubChem (CID 143376403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).