(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol

C10H18O — CID 12571838

IUPAC(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol
SMILESCC1=CC[C@H]([C@@H](C)CO)CC1
InChIInChI=1S/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,9-11H,4-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyZTYHGIAOVUPAAH-UWVGGRQHSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds2

About (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol

(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol (PubChem CID 12571838) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol
PubChem CID12571838
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol
SMILESCC1=CC[C@H]([C@@H](C)CO)CC1
InChIInChI=1S/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,9-11H,4-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyZTYHGIAOVUPAAH-UWVGGRQHSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol?
The IUPAC name of (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol (CID 12571838) is (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol?
The canonical SMILES for (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol is CC1=CC[C@H]([C@@H](C)CO)CC1.
What is the InChIKey of (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol?
The InChIKey is ZTYHGIAOVUPAAH-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,9-11H,4-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol?
(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol is sourced from PubChem (CID 12571838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).