[(E)-hex-2-enoxy]methanediol

C7H14O3 — CID 138520161

IUPAC[(E)-hex-2-enoxy]methanediol
SMILESCCC/C=C/COC(O)O
InChIInChI=1S/C7H14O3/c1-2-3-4-5-6-10-7(8)9/h4-5,7-9H,2-3,6H2,1H3/b5-4+
InChIKeyWRUQTMPYQHIKIH-SNAWJCMRSA-N
MW146.19 g/mol
LogP0.63
Rot. Bonds5

About [(E)-hex-2-enoxy]methanediol

[(E)-hex-2-enoxy]methanediol (PubChem CID 138520161) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is [(E)-hex-2-enoxy]methanediol.

Molecular Properties

Compound Name[(E)-hex-2-enoxy]methanediol
PubChem CID138520161
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name[(E)-hex-2-enoxy]methanediol
SMILESCCC/C=C/COC(O)O
InChIInChI=1S/C7H14O3/c1-2-3-4-5-6-10-7(8)9/h4-5,7-9H,2-3,6H2,1H3/b5-4+
InChIKeyWRUQTMPYQHIKIH-SNAWJCMRSA-N
XLogP0.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(E)-hex-2-enoxy]methanediol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-methoxyhex-2-ene
CID 5366215
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407
6,6-bis[(E)-hex-2-enoxy]hexanoic acid
CID 164552760
tetrakis(hex-2-enyl) silicate
CID 54207943
hex-2-enyl 2-methylbutanoate
CID 527116
bis[(Z)-hex-2-enyl] (E)-but-2-enedioate
CID 24805711
bis[(Z)-hex-2-enyl] butanedioate
CID 91701123
CID 57482386
CID 57482386
(E)-1-(chloromethoxy)hex-2-ene
CID 11499241
1-hex-2-enoxypropan-2-one
CID 90766135

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-2-enoxy]methanediol?
The IUPAC name of [(E)-hex-2-enoxy]methanediol (CID 138520161) is [(E)-hex-2-enoxy]methanediol.
What is the SMILES notation for [(E)-hex-2-enoxy]methanediol?
The canonical SMILES for [(E)-hex-2-enoxy]methanediol is CCC/C=C/COC(O)O.
What is the InChIKey of [(E)-hex-2-enoxy]methanediol?
The InChIKey is WRUQTMPYQHIKIH-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H14O3/c1-2-3-4-5-6-10-7(8)9/h4-5,7-9H,2-3,6H2,1H3/b5-4+.
What are the key properties of [(E)-hex-2-enoxy]methanediol?
[(E)-hex-2-enoxy]methanediol has a molecular weight of 146.19 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enoxy]methanediol is sourced from PubChem (CID 138520161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).