(1R,3R,4S)-3,4-dimethylcyclohexan-1-ol

C8H16O — CID 6994302

IUPAC(1R,3R,4S)-3,4-dimethylcyclohexan-1-ol
SMILESC[C@@H]1C[C@H](O)CC[C@@H]1C
InChIInChI=1S/C8H16O/c1-6-3-4-8(9)5-7(6)2/h6-9H,3-5H2,1-2H3/t6-,7+,8+/m0/s1
InChIKeyZBAXJUPCYVIBSP-XLPZGREQSA-N
MW128.21 g/mol
LogP1.80
Rot. Bonds

About (1R,3R,4S)-3,4-dimethylcyclohexan-1-ol

(1R,3R,4S)-3,4-dimethylcyclohexan-1-ol (PubChem CID 6994302) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (1R,3R,4S)-3,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,3R,4S)-3,4-dimethylcyclohexan-1-ol
PubChem CID6994302
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(1R,3R,4S)-3,4-dimethylcyclohexan-1-ol
SMILESC[C@@H]1C[C@H](O)CC[C@@H]1C
InChIInChI=1S/C8H16O/c1-6-3-4-8(9)5-7(6)2/h6-9H,3-5H2,1-2H3/t6-,7+,8+/m0/s1
InChIKeyZBAXJUPCYVIBSP-XLPZGREQSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-3,4-dimethylcyclohexan-1-ol?
The IUPAC name of (1R,3R,4S)-3,4-dimethylcyclohexan-1-ol (CID 6994302) is (1R,3R,4S)-3,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for (1R,3R,4S)-3,4-dimethylcyclohexan-1-ol?
The canonical SMILES for (1R,3R,4S)-3,4-dimethylcyclohexan-1-ol is C[C@@H]1C[C@H](O)CC[C@@H]1C.
What is the InChIKey of (1R,3R,4S)-3,4-dimethylcyclohexan-1-ol?
The InChIKey is ZBAXJUPCYVIBSP-XLPZGREQSA-N. The full InChI is InChI=1S/C8H16O/c1-6-3-4-8(9)5-7(6)2/h6-9H,3-5H2,1-2H3/t6-,7+,8+/m0/s1.
What are the key properties of (1R,3R,4S)-3,4-dimethylcyclohexan-1-ol?
(1R,3R,4S)-3,4-dimethylcyclohexan-1-ol has a molecular weight of 128.21 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-3,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 6994302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).