2,3,4,5,6-pentamethylcyclohexan-1-ol

C11H22O — CID 18730220

IUPAC2,3,4,5,6-pentamethylcyclohexan-1-ol
SMILESCC1C(C)C(C)C(O)C(C)C1C
InChIInChI=1S/C11H22O/c1-6-7(2)9(4)11(12)10(5)8(6)3/h6-12H,1-5H3
InChIKeyBMUJHGIQRUGLHD-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.54
Rot. Bonds

About 2,3,4,5,6-pentamethylcyclohexan-1-ol

2,3,4,5,6-pentamethylcyclohexan-1-ol (PubChem CID 18730220) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethylcyclohexan-1-ol.

Molecular Properties

Compound Name2,3,4,5,6-pentamethylcyclohexan-1-ol
PubChem CID18730220
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2,3,4,5,6-pentamethylcyclohexan-1-ol
SMILESCC1C(C)C(C)C(O)C(C)C1C
InChIInChI=1S/C11H22O/c1-6-7(2)9(4)11(12)10(5)8(6)3/h6-12H,1-5H3
InChIKeyBMUJHGIQRUGLHD-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethylcyclohexan-1-ol?
The IUPAC name of 2,3,4,5,6-pentamethylcyclohexan-1-ol (CID 18730220) is 2,3,4,5,6-pentamethylcyclohexan-1-ol.
What is the SMILES notation for 2,3,4,5,6-pentamethylcyclohexan-1-ol?
The canonical SMILES for 2,3,4,5,6-pentamethylcyclohexan-1-ol is CC1C(C)C(C)C(O)C(C)C1C.
What is the InChIKey of 2,3,4,5,6-pentamethylcyclohexan-1-ol?
The InChIKey is BMUJHGIQRUGLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-6-7(2)9(4)11(12)10(5)8(6)3/h6-12H,1-5H3.
What are the key properties of 2,3,4,5,6-pentamethylcyclohexan-1-ol?
2,3,4,5,6-pentamethylcyclohexan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethylcyclohexan-1-ol is sourced from PubChem (CID 18730220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).