4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexen-1-ol

C10H16O3 — CID 163755154

IUPAC4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexen-1-ol
SMILESCOC1=C(O)CCC(/C=C/CO)C1
InChIInChI=1S/C10H16O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-3,8,11-12H,4-7H2,1H3/b3-2+
InChIKeyLTLDVZXZMYHFSY-NSCUHMNNSA-N
MW184.24 g/mol
LogP1.75
Rot. Bonds3

About 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexen-1-ol

4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexen-1-ol (PubChem CID 163755154) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexen-1-ol.

Molecular Properties

Compound Name4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexen-1-ol
PubChem CID163755154
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexen-1-ol
SMILESCOC1=C(O)CCC(/C=C/CO)C1
InChIInChI=1S/C10H16O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-3,8,11-12H,4-7H2,1H3/b3-2+
InChIKeyLTLDVZXZMYHFSY-NSCUHMNNSA-N
XLogP1.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexen-1-ol, 4,4,6-trimethyl-
CID 558612
(Z)-2,6-dimethyloct-2-ene-1,8-diol
CID 77134639
2,6-Dimethyloct-2-ene-1,8-diol
CID 71357715
(e)-2,6-Dimethyl-2-octen-1,8-diol
CID 12033666
(E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol
CID 71277070
Turmerol
CID 20055538
10-Methylundec-6-ene-2,8-diol
CID 21559797
Methane;5-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 70010822
2-methyl-5-[(Z)-prop-1-enyl]cyclohex-2-en-1-ol
CID 117666698
5-Ethylcyclohex-2-ene-1,2-diol
CID 122633399
(4-Methoxycyclohex-3-en-1-yl)methanol
CID 130122166
(1S,5S)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol
CID 11062798

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexen-1-ol?
The IUPAC name of 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexen-1-ol (CID 163755154) is 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexen-1-ol.
What is the SMILES notation for 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexen-1-ol?
The canonical SMILES for 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexen-1-ol is COC1=C(O)CCC(/C=C/CO)C1.
What is the InChIKey of 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexen-1-ol?
The InChIKey is LTLDVZXZMYHFSY-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H16O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-3,8,11-12H,4-7H2,1H3/b3-2+.
What are the key properties of 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexen-1-ol?
4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexen-1-ol has a molecular weight of 184.24 g/mol, XLogP of 1.75, 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]-2-methoxycyclohexen-1-ol is sourced from PubChem (CID 163755154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).