1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane

C28H62 — CID 156867951

IUPAC1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane
SMILESCC.CC.CC1CC(C)C1.CCC.CCCCC(C)(C)CC1CCC(C)CC1
InChIInChI=1S/C15H30.C6H12.C3H8.2C2H6/c1-5-6-11-15(3,4)12-14-9-7-13(2)8-10-14;1-5-3-6(2)4-5;1-3-2;2*1-2/h13-14H,5-12H2,1-4H3;5-6H,3-4H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyXKASZNABJNRLAV-UHFFFAOYSA-N
MW398.80 g/mol
LogP10.94
Rot. Bonds5

About 1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane

1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane (PubChem CID 156867951) has the molecular formula C28H62 and a molecular weight of 398.80 g/mol. Its IUPAC name is 1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane.

Molecular Properties

Compound Name1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane
PubChem CID156867951
Molecular FormulaC28H62
Molecular Weight398.80 g/mol
Exact Mass398.49
IUPAC Name1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane
SMILESCC.CC.CC1CC(C)C1.CCC.CCCCC(C)(C)CC1CCC(C)CC1
InChIInChI=1S/C15H30.C6H12.C3H8.2C2H6/c1-5-6-11-15(3,4)12-14-9-7-13(2)8-10-14;1-5-3-6(2)4-5;1-3-2;2*1-2/h13-14H,5-12H2,1-4H3;5-6H,3-4H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyXKASZNABJNRLAV-UHFFFAOYSA-N
XLogP10.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.80
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
[2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate
CID 145301573
2-(cyclopropylmethyl)-2-methylhexanal
CID 141352242
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179
1-ethyl-4-methylcyclohexane;pentane
CID 159787850
3-(2,2-dimethylhexyl)oxiran-2-ol
CID 123843770
1-(2,2-dimethylpropyl)-3-methylcyclopentane
CID 58530421
ethane;1-ethyl-3-methylcyclopentane;propane
CID 162724800
1-butyl-4-methylcyclooctane
CID 123623113
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
butane;bis(hexane);bis(methylcyclopentane)
CID 162195101
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen
CID 160718193

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane?
The IUPAC name of 1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane (CID 156867951) is 1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane.
What is the SMILES notation for 1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane?
The canonical SMILES for 1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane is CC.CC.CC1CC(C)C1.CCC.CCCCC(C)(C)CC1CCC(C)CC1.
What is the InChIKey of 1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane?
The InChIKey is XKASZNABJNRLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30.C6H12.C3H8.2C2H6/c1-5-6-11-15(3,4)12-14-9-7-13(2)8-10-14;1-5-3-6(2)4-5;1-3-2;2*1-2/h13-14H,5-12H2,1-4H3;5-6H,3-4H2,1-2H3;3H2,1-2H3;2*1-2H3.
What are the key properties of 1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane?
1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane has a molecular weight of 398.80 g/mol, XLogP of 10.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane is sourced from PubChem (CID 156867951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).