1,2,3,4,5,6-hexamethylcycloheptane

C13H26 — CID 59131994

IUPAC1,2,3,4,5,6-hexamethylcycloheptane
SMILESCC1CC(C)C(C)C(C)C(C)C1C
InChIInChI=1S/C13H26/c1-8-7-9(2)11(4)13(6)12(5)10(8)3/h8-13H,7H2,1-6H3
InChIKeyYVRRDWPPOMUJOC-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.21
Rot. Bonds

About 1,2,3,4,5,6-hexamethylcycloheptane

1,2,3,4,5,6-hexamethylcycloheptane (PubChem CID 59131994) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethylcycloheptane.

Molecular Properties

Compound Name1,2,3,4,5,6-hexamethylcycloheptane
PubChem CID59131994
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,2,3,4,5,6-hexamethylcycloheptane
SMILESCC1CC(C)C(C)C(C)C(C)C1C
InChIInChI=1S/C13H26/c1-8-7-9(2)11(4)13(6)12(5)10(8)3/h8-13H,7H2,1-6H3
InChIKeyYVRRDWPPOMUJOC-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
carbanide;(1S,2S,3R,4R)-1,2,3,4-tetramethylcyclopentane;(yttrium)
CID 163562736
1-(2-chloroethenyl)-2,3,4,5-tetramethylcyclopentane;iron;1,2,3,4-tetramethylcyclopentane
CID 162299054
1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane
CID 90791175
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
1,2,3,5,7-pentamethylcyclooctane
CID 91401486
(1S,2R,3R,4R,5S)-1,2-dibromo-3,4,5-trimethylcyclohexane
CID 98513794
ethane;2,4,6-trimethylbicyclo[3.1.1]heptane
CID 143259868
3,4,5-trimethylcyclohexan-1-amine
CID 130371803
1-butyl-2,3,4,5-tetramethylcyclohexane
CID 167492243
CID 117060983
CID 117060983
(1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid
CID 44722597

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexamethylcycloheptane?
The IUPAC name of 1,2,3,4,5,6-hexamethylcycloheptane (CID 59131994) is 1,2,3,4,5,6-hexamethylcycloheptane.
What is the SMILES notation for 1,2,3,4,5,6-hexamethylcycloheptane?
The canonical SMILES for 1,2,3,4,5,6-hexamethylcycloheptane is CC1CC(C)C(C)C(C)C(C)C1C.
What is the InChIKey of 1,2,3,4,5,6-hexamethylcycloheptane?
The InChIKey is YVRRDWPPOMUJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-8-7-9(2)11(4)13(6)12(5)10(8)3/h8-13H,7H2,1-6H3.
What are the key properties of 1,2,3,4,5,6-hexamethylcycloheptane?
1,2,3,4,5,6-hexamethylcycloheptane has a molecular weight of 182.35 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexamethylcycloheptane is sourced from PubChem (CID 59131994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).