(2R,3R)-3-[(3S)-3-methylcyclohexen-1-yl]oxybutan-2-ol

C11H20O2 — CID 139263538

IUPAC(2R,3R)-3-[(3S)-3-methylcyclohexen-1-yl]oxybutan-2-ol
SMILESC[C@@H]1C=C(O[C@H](C)[C@@H](C)O)CCC1
InChIInChI=1S/C11H20O2/c1-8-5-4-6-11(7-8)13-10(3)9(2)12/h7-10,12H,4-6H2,1-3H3/t8-,9+,10+/m0/s1
InChIKeyFTNLILLQUVTIJB-IVZWLZJFSA-N
MW184.28 g/mol
LogP2.48
Rot. Bonds3

About (2R,3R)-3-[(3S)-3-methylcyclohexen-1-yl]oxybutan-2-ol

(2R,3R)-3-[(3S)-3-methylcyclohexen-1-yl]oxybutan-2-ol (PubChem CID 139263538) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2R,3R)-3-[(3S)-3-methylcyclohexen-1-yl]oxybutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-[(3S)-3-methylcyclohexen-1-yl]oxybutan-2-ol
PubChem CID139263538
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2R,3R)-3-[(3S)-3-methylcyclohexen-1-yl]oxybutan-2-ol
SMILESC[C@@H]1C=C(O[C@H](C)[C@@H](C)O)CCC1
InChIInChI=1S/C11H20O2/c1-8-5-4-6-11(7-8)13-10(3)9(2)12/h7-10,12H,4-6H2,1-3H3/t8-,9+,10+/m0/s1
InChIKeyFTNLILLQUVTIJB-IVZWLZJFSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,3R)-3-[(3S)-3-methylcyclohexen-1-yl]oxybutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[(3S)-3-methylcyclohexen-1-yl]oxybutan-2-ol?
The IUPAC name of (2R,3R)-3-[(3S)-3-methylcyclohexen-1-yl]oxybutan-2-ol (CID 139263538) is (2R,3R)-3-[(3S)-3-methylcyclohexen-1-yl]oxybutan-2-ol.
What is the SMILES notation for (2R,3R)-3-[(3S)-3-methylcyclohexen-1-yl]oxybutan-2-ol?
The canonical SMILES for (2R,3R)-3-[(3S)-3-methylcyclohexen-1-yl]oxybutan-2-ol is C[C@@H]1C=C(O[C@H](C)[C@@H](C)O)CCC1.
What is the InChIKey of (2R,3R)-3-[(3S)-3-methylcyclohexen-1-yl]oxybutan-2-ol?
The InChIKey is FTNLILLQUVTIJB-IVZWLZJFSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-5-4-6-11(7-8)13-10(3)9(2)12/h7-10,12H,4-6H2,1-3H3/t8-,9+,10+/m0/s1.
What are the key properties of (2R,3R)-3-[(3S)-3-methylcyclohexen-1-yl]oxybutan-2-ol?
(2R,3R)-3-[(3S)-3-methylcyclohexen-1-yl]oxybutan-2-ol has a molecular weight of 184.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[(3S)-3-methylcyclohexen-1-yl]oxybutan-2-ol is sourced from PubChem (CID 139263538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).