(3S,6S)-3-methyl-6-propan-2-ylcyclohexen-1-ol

C10H18O — CID 69228630

IUPAC(3S,6S)-3-methyl-6-propan-2-ylcyclohexen-1-ol
SMILESCC(C)[C@@H]1CC[C@H](C)C=C1O
InChIInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-9,11H,4-5H2,1-3H3/t8-,9-/m0/s1
InChIKeyCCJSKHHLZKFPGH-IUCAKERBSA-N
MW154.25 g/mol
LogP3.13
Rot. Bonds1

About (3S,6S)-3-methyl-6-propan-2-ylcyclohexen-1-ol

(3S,6S)-3-methyl-6-propan-2-ylcyclohexen-1-ol (PubChem CID 69228630) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (3S,6S)-3-methyl-6-propan-2-ylcyclohexen-1-ol.

Molecular Properties

Compound Name(3S,6S)-3-methyl-6-propan-2-ylcyclohexen-1-ol
PubChem CID69228630
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(3S,6S)-3-methyl-6-propan-2-ylcyclohexen-1-ol
SMILESCC(C)[C@@H]1CC[C@H](C)C=C1O
InChIInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-9,11H,4-5H2,1-3H3/t8-,9-/m0/s1
InChIKeyCCJSKHHLZKFPGH-IUCAKERBSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-methyl-6-propan-2-ylcyclohexen-1-ol?
The IUPAC name of (3S,6S)-3-methyl-6-propan-2-ylcyclohexen-1-ol (CID 69228630) is (3S,6S)-3-methyl-6-propan-2-ylcyclohexen-1-ol.
What is the SMILES notation for (3S,6S)-3-methyl-6-propan-2-ylcyclohexen-1-ol?
The canonical SMILES for (3S,6S)-3-methyl-6-propan-2-ylcyclohexen-1-ol is CC(C)[C@@H]1CC[C@H](C)C=C1O.
What is the InChIKey of (3S,6S)-3-methyl-6-propan-2-ylcyclohexen-1-ol?
The InChIKey is CCJSKHHLZKFPGH-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-9,11H,4-5H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (3S,6S)-3-methyl-6-propan-2-ylcyclohexen-1-ol?
(3S,6S)-3-methyl-6-propan-2-ylcyclohexen-1-ol has a molecular weight of 154.25 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-methyl-6-propan-2-ylcyclohexen-1-ol is sourced from PubChem (CID 69228630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).