1,1,2,2,3,4,5-heptamethylcyclohexane

C13H26 — CID 91092757

IUPAC1,1,2,2,3,4,5-heptamethylcyclohexane
SMILESCC1CC(C)(C)C(C)(C)C(C)C1C
InChIInChI=1S/C13H26/c1-9-8-12(4,5)13(6,7)11(3)10(9)2/h9-11H,8H2,1-7H3
InChIKeyRXMHZAGSYSOTRI-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.35
Rot. Bonds

About 1,1,2,2,3,4,5-heptamethylcyclohexane

1,1,2,2,3,4,5-heptamethylcyclohexane (PubChem CID 91092757) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,1,2,2,3,4,5-heptamethylcyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,4,5-heptamethylcyclohexane
PubChem CID91092757
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,1,2,2,3,4,5-heptamethylcyclohexane
SMILESCC1CC(C)(C)C(C)(C)C(C)C1C
InChIInChI=1S/C13H26/c1-9-8-12(4,5)13(6,7)11(3)10(9)2/h9-11H,8H2,1-7H3
InChIKeyRXMHZAGSYSOTRI-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane
CID 123919039
(3R)-1,3,4,5-tetramethylcyclohexan-1-ol
CID 70226236
1,2,2,3-tetramethylcyclobutan-1-ol
CID 175148355
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
CID 162267024
CID 162267024
1,2,2,3,4,5,8-heptamethylbicyclo[4.2.0]octane
CID 123287392
1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CID 21348432
1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane
CID 123505279
(3S)-1,1,2,3,5,5-hexamethylcyclohexane
CID 164756957
1,1,2,3,4,5-hexamethylcyclopentane
CID 158781984
(1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine
CID 91301916
3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol
CID 58077825

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4,5-heptamethylcyclohexane?
The IUPAC name of 1,1,2,2,3,4,5-heptamethylcyclohexane (CID 91092757) is 1,1,2,2,3,4,5-heptamethylcyclohexane.
What is the SMILES notation for 1,1,2,2,3,4,5-heptamethylcyclohexane?
The canonical SMILES for 1,1,2,2,3,4,5-heptamethylcyclohexane is CC1CC(C)(C)C(C)(C)C(C)C1C.
What is the InChIKey of 1,1,2,2,3,4,5-heptamethylcyclohexane?
The InChIKey is RXMHZAGSYSOTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-9-8-12(4,5)13(6,7)11(3)10(9)2/h9-11H,8H2,1-7H3.
What are the key properties of 1,1,2,2,3,4,5-heptamethylcyclohexane?
1,1,2,2,3,4,5-heptamethylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4,5-heptamethylcyclohexane is sourced from PubChem (CID 91092757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).