(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-1,2-diol

C10H18O2 — CID 14954469

IUPAC(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-1,2-diol
SMILESCC1=CC[C@H]([C@@](C)(O)CO)CC1
InChIInChI=1S/C10H18O2/c1-8-3-5-9(6-4-8)10(2,12)7-11/h3,9,11-12H,4-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyZJALAEQNHJQSTN-UWVGGRQHSA-N
MW170.25 g/mol
LogP1.48
Rot. Bonds2

About (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-1,2-diol

(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-1,2-diol (PubChem CID 14954469) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-1,2-diol
PubChem CID14954469
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-1,2-diol
SMILESCC1=CC[C@H]([C@@](C)(O)CO)CC1
InChIInChI=1S/C10H18O2/c1-8-3-5-9(6-4-8)10(2,12)7-11/h3,9,11-12H,4-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyZJALAEQNHJQSTN-UWVGGRQHSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 443162
Alpha-Terpineol
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(+)-alpha-Terpineol
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Sobrerol
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p-MENTH-1-EN-9-OL
CID 86753
Isocyclogeraniol
CID 109458
trans-Sobrerol
CID 854498
Uroterpenol
CID 93024
2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-ol
CID 90806
Methylcyclohexenyl butanol
CID 85903
4-(2-Hydroxy-2-propyl)cyclohexene-1-methanol
CID 110662
1-Cyclohexene-1-butanol, gamma-methyl-
CID 66584171

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-1,2-diol?
The IUPAC name of (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-1,2-diol (CID 14954469) is (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-1,2-diol?
The canonical SMILES for (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-1,2-diol is CC1=CC[C@H]([C@@](C)(O)CO)CC1.
What is the InChIKey of (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-1,2-diol?
The InChIKey is ZJALAEQNHJQSTN-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-3-5-9(6-4-8)10(2,12)7-11/h3,9,11-12H,4-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-1,2-diol?
(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-1,2-diol has a molecular weight of 170.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-1,2-diol is sourced from PubChem (CID 14954469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).