1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane

C15H30 — CID 123995287

IUPAC1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane
SMILESCC(C)CCC1C(C)C(C)CCC1(C)C
InChIInChI=1S/C15H30/c1-11(2)7-8-14-13(4)12(3)9-10-15(14,5)6/h11-14H,7-10H2,1-6H3
InChIKeyPIOXKYYCCZLLAM-UHFFFAOYSA-N
MW210.41 g/mol
LogP5.13
Rot. Bonds3

About 1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane

1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane (PubChem CID 123995287) has the molecular formula C15H30 and a molecular weight of 210.41 g/mol. Its IUPAC name is 1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane.

Molecular Properties

Compound Name1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane
PubChem CID123995287
Molecular FormulaC15H30
Molecular Weight210.41 g/mol
Exact Mass210.23
IUPAC Name1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane
SMILESCC(C)CCC1C(C)C(C)CCC1(C)C
InChIInChI=1S/C15H30/c1-11(2)7-8-14-13(4)12(3)9-10-15(14,5)6/h11-14H,7-10H2,1-6H3
InChIKeyPIOXKYYCCZLLAM-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.41
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,3-trimethyl-2-propylcyclopentane
CID 154529227
(1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol
CID 71197468
2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,2,6-trimethylcyclohexyl)octadecyl]cyclohexan-1-ol
CID 70877793
cis-(2R,3S)-1,1,3-trimethyl-2-[(3S,7R,12S,16S)-3,7,12,16-tetramethyl-18-[(1R,6S)-2,2,6-trimethylcyclohexyl]octadecyl]cyclohexane
CID 162940926
1,4-dimethylbicyclo[2.2.2]octane;2,5-dimethylhexane;ethane;methane
CID 156836779
1,1,2-trimethyl-4-(3-methylbutyl)cyclobutane
CID 123981363
2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane
CID 71374334
2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane
CID 123420159
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
1,3-dimethyl-1-(3-methylbutyl)cyclopentane
CID 91534929
(6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane
CID 163836831
1-[(1S)-2,2,6-trimethylcyclohexyl]heptan-3-ol;1-(2,2,6-trimethylcyclohexyl)heptan-3-ol
CID 157202478

Frequently Asked Questions

What is the IUPAC name of 1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane?
The IUPAC name of 1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane (CID 123995287) is 1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane.
What is the SMILES notation for 1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane?
The canonical SMILES for 1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane is CC(C)CCC1C(C)C(C)CCC1(C)C.
What is the InChIKey of 1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane?
The InChIKey is PIOXKYYCCZLLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-11(2)7-8-14-13(4)12(3)9-10-15(14,5)6/h11-14H,7-10H2,1-6H3.
What are the key properties of 1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane?
1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane has a molecular weight of 210.41 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane is sourced from PubChem (CID 123995287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).