[(E)-hex-2-enyl] formate

C7H12O2 — CID 5352972

IUPAC[(E)-hex-2-enyl] formate
SMILESCCC/C=C/COC=O
InChIInChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h4-5,7H,2-3,6H2,1H3/b5-4+
InChIKeySLWYMCAVYPZTRN-SNAWJCMRSA-N
MW128.17 g/mol
LogP1.52
Rot. Bonds5

About [(E)-hex-2-enyl] formate

[(E)-hex-2-enyl] formate (PubChem CID 5352972) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is [(E)-hex-2-enyl] formate.

Molecular Properties

Compound Name[(E)-hex-2-enyl] formate
PubChem CID5352972
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name[(E)-hex-2-enyl] formate
SMILESCCC/C=C/COC=O
InChIInChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h4-5,7H,2-3,6H2,1H3/b5-4+
InChIKeySLWYMCAVYPZTRN-SNAWJCMRSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Hexenyl acetate, (2E)-
CID 2733294
Neryl formate
CID 5354882
Geranyl formate
CID 5282109
2-Hexen-1-ol, 1-acetate
CID 17243
Hex-2-enyl formate
CID 104484
Hexenyl acetate, (2Z)-
CID 5363374
(Z)-pent-2-en-1-yl acetate
CID 5363400
3,7-Dimethylocta-2,6-dienyl formate
CID 7779
(Z)-2-Hexenyl formate
CID 21159477
[(3R)-nona-1,5-dien-3-yl] formate
CID 162909612
[(3R,5E)-nona-1,5-dien-3-yl] formate
CID 163187855
2-Penten-1-yl acetate
CID 162500

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-2-enyl] formate?
The IUPAC name of [(E)-hex-2-enyl] formate (CID 5352972) is [(E)-hex-2-enyl] formate.
What is the SMILES notation for [(E)-hex-2-enyl] formate?
The canonical SMILES for [(E)-hex-2-enyl] formate is CCC/C=C/COC=O.
What is the InChIKey of [(E)-hex-2-enyl] formate?
The InChIKey is SLWYMCAVYPZTRN-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h4-5,7H,2-3,6H2,1H3/b5-4+.
What are the key properties of [(E)-hex-2-enyl] formate?
[(E)-hex-2-enyl] formate has a molecular weight of 128.17 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enyl] formate is sourced from PubChem (CID 5352972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).