cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol

C8H16O — CID 172581179

IUPACcis-(1S,4R)-2,4-dimethylcyclohexan-1-ol
SMILESCC1C[C@H](C)CC[C@@H]1O
InChIInChI=1S/C8H16O/c1-6-3-4-8(9)7(2)5-6/h6-9H,3-5H2,1-2H3/t6-,7?,8+/m1/s1
InChIKeyCKPQAKDCQGMTSO-QUFPSDLASA-N
MW128.21 g/mol
LogP1.80
Rot. Bonds

About cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol

cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol (PubChem CID 172581179) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,4R)-2,4-dimethylcyclohexan-1-ol
PubChem CID172581179
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Namecis-(1S,4R)-2,4-dimethylcyclohexan-1-ol
SMILESCC1C[C@H](C)CC[C@@H]1O
InChIInChI=1S/C8H16O/c1-6-3-4-8(9)7(2)5-6/h6-9H,3-5H2,1-2H3/t6-,7?,8+/m1/s1
InChIKeyCKPQAKDCQGMTSO-QUFPSDLASA-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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Related Compounds

(1S,2S,4S)-2,4-dimethylcyclohexan-1-ol
CID 12779508
(1R,2S,4R)-2,4-dimethylcyclohexan-1-ol
CID 12779510
(1S)-2,4-dimethylcyclohexan-1-ol
CID 143035345
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
potassium 2,5-dimethylcyclohexan-1-ol
CID 18764424
lithium 2,5-dimethylcyclohexan-1-ol
CID 18764144
(1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol
CID 124537900
(2R)-2-amino-4-methylcyclohexan-1-ol
CID 142197995
2,5-dimethylcyclohexan-1-ol;propane
CID 142087287
(2S)-2-methyl-4-propylcyclohexan-1-ol
CID 177268723

Frequently Asked Questions

What is the IUPAC name of cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol?
The IUPAC name of cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol (CID 172581179) is cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol is CC1C[C@H](C)CC[C@@H]1O.
What is the InChIKey of cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol?
The InChIKey is CKPQAKDCQGMTSO-QUFPSDLASA-N. The full InChI is InChI=1S/C8H16O/c1-6-3-4-8(9)7(2)5-6/h6-9H,3-5H2,1-2H3/t6-,7?,8+/m1/s1.
What are the key properties of cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol?
cis-(1S,4R)-2,4-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 cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 172581179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).