4-[(E)-3-hydroxyprop-1-enyl]-6-methoxycyclohex-2-en-1-ol

C10H16O3 — CID 171934039

IUPAC4-[(E)-3-hydroxyprop-1-enyl]-6-methoxycyclohex-2-en-1-ol
SMILESCOC1CC(/C=C/CO)C=CC1O
InChIInChI=1S/C10H16O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,8-12H,6-7H2,1H3/b3-2+
InChIKeyJAAXCKJLAZCWNM-NSCUHMNNSA-N
MW184.23 g/mol
LogP0.49
Rot. Bonds3

About 4-[(E)-3-hydroxyprop-1-enyl]-6-methoxycyclohex-2-en-1-ol

4-[(E)-3-hydroxyprop-1-enyl]-6-methoxycyclohex-2-en-1-ol (PubChem CID 171934039) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-[(E)-3-hydroxyprop-1-enyl]-6-methoxycyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-[(E)-3-hydroxyprop-1-enyl]-6-methoxycyclohex-2-en-1-ol
PubChem CID171934039
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-[(E)-3-hydroxyprop-1-enyl]-6-methoxycyclohex-2-en-1-ol
SMILESCOC1CC(/C=C/CO)C=CC1O
InChIInChI=1S/C10H16O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,8-12H,6-7H2,1H3/b3-2+
InChIKeyJAAXCKJLAZCWNM-NSCUHMNNSA-N
XLogP0.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[(E)-3-hydroxyprop-1-enyl]-6-methoxycyclohex-2-en-1-ol?
The IUPAC name of 4-[(E)-3-hydroxyprop-1-enyl]-6-methoxycyclohex-2-en-1-ol (CID 171934039) is 4-[(E)-3-hydroxyprop-1-enyl]-6-methoxycyclohex-2-en-1-ol.
What is the SMILES notation for 4-[(E)-3-hydroxyprop-1-enyl]-6-methoxycyclohex-2-en-1-ol?
The canonical SMILES for 4-[(E)-3-hydroxyprop-1-enyl]-6-methoxycyclohex-2-en-1-ol is COC1CC(/C=C/CO)C=CC1O.
What is the InChIKey of 4-[(E)-3-hydroxyprop-1-enyl]-6-methoxycyclohex-2-en-1-ol?
The InChIKey is JAAXCKJLAZCWNM-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H16O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,8-12H,6-7H2,1H3/b3-2+.
What are the key properties of 4-[(E)-3-hydroxyprop-1-enyl]-6-methoxycyclohex-2-en-1-ol?
4-[(E)-3-hydroxyprop-1-enyl]-6-methoxycyclohex-2-en-1-ol has a molecular weight of 184.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-hydroxyprop-1-enyl]-6-methoxycyclohex-2-en-1-ol is sourced from PubChem (CID 171934039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).