2-methoxyhex-3-en-1-ol

C7H14O2 — CID 139928318

IUPAC2-methoxyhex-3-en-1-ol
SMILESCCC=CC(CO)OC
InChIInChI=1S/C7H14O2/c1-3-4-5-7(6-8)9-2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyDFEUWIKCLFHMRR-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.96
Rot. Bonds4

About 2-methoxyhex-3-en-1-ol

2-methoxyhex-3-en-1-ol (PubChem CID 139928318) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-methoxyhex-3-en-1-ol.

Molecular Properties

Compound Name2-methoxyhex-3-en-1-ol
PubChem CID139928318
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-methoxyhex-3-en-1-ol
SMILESCCC=CC(CO)OC
InChIInChI=1S/C7H14O2/c1-3-4-5-7(6-8)9-2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyDFEUWIKCLFHMRR-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dihydro-2H-pyran-3-ol
CID 53421140
[(3R,6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol
CID 12160124
1,5-Heptadiene-3,4-diol
CID 5366240
2-Methoxy-3-buten-1-OL
CID 2735078
(3,6-dihydro-2H-pyran-2-yl)methanol
CID 13438404
(2R,3E,11E)-2-methoxytrideca-3,11-dien-5,7,9-triyn-1-ol
CID 101352147
trans-(2r12s)-1,2-Dihydroxy-3-pentene
CID 12659788
[(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol
CID 16727774
(Z,2R)-1-prop-2-enoxyhex-3-en-2-ol
CID 135079442
Hepta-1,5-diene-3,4-diol
CID 40187
(2R)-2-methoxybut-3-en-1-ol
CID 8063406
(2S,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol
CID 10630501

Frequently Asked Questions

What is the IUPAC name of 2-methoxyhex-3-en-1-ol?
The IUPAC name of 2-methoxyhex-3-en-1-ol (CID 139928318) is 2-methoxyhex-3-en-1-ol.
What is the SMILES notation for 2-methoxyhex-3-en-1-ol?
The canonical SMILES for 2-methoxyhex-3-en-1-ol is CCC=CC(CO)OC.
What is the InChIKey of 2-methoxyhex-3-en-1-ol?
The InChIKey is DFEUWIKCLFHMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-5-7(6-8)9-2/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 2-methoxyhex-3-en-1-ol?
2-methoxyhex-3-en-1-ol has a molecular weight of 130.19 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyhex-3-en-1-ol is sourced from PubChem (CID 139928318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).