[(E)-hex-2-enyl] methyl carbonate

C8H14O3 — CID 11159465

IUPAC[(E)-hex-2-enyl] methyl carbonate
SMILESCCC/C=C/COC(=O)OC
InChIInChI=1S/C8H14O3/c1-3-4-5-6-7-11-8(9)10-2/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKeyJLEQHDGACOVDNU-AATRIKPKSA-N
MW158.20 g/mol
LogP2.13
Rot. Bonds4

About [(E)-hex-2-enyl] methyl carbonate

[(E)-hex-2-enyl] methyl carbonate (PubChem CID 11159465) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(E)-hex-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E)-hex-2-enyl] methyl carbonate
PubChem CID11159465
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[(E)-hex-2-enyl] methyl carbonate
SMILESCCC/C=C/COC(=O)OC
InChIInChI=1S/C8H14O3/c1-3-4-5-6-7-11-8(9)10-2/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKeyJLEQHDGACOVDNU-AATRIKPKSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hexenyl acetate, (2E)-
CID 2733294
2-Hexenyl formate, (2E)-
CID 5352972
2-Hexenal diethyl acetal, (2E)-
CID 5365137
1,1-Dimethoxyhex-2-ene, (2E)-
CID 6436486
1,1-Diethoxy-2,6-nonadiene, (2E,6Z)-
CID 6364671
2-Hexen-1-ol, 1-acetate
CID 17243
1,1-Diethoxyhex-2-ene
CID 93366
Hex-3-en-1-yl methyl carbonate, (3Z)-
CID 5365699
Hex-2-enyl formate
CID 104484
1,1-Diethoxynona-2,6-diene
CID 105533
1,1-Diethoxy-2,6-nonadiene, (2Z,6Z)-
CID 20838796
Hexenyl acetate, (2Z)-
CID 5363374

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-2-enyl] methyl carbonate?
The IUPAC name of [(E)-hex-2-enyl] methyl carbonate (CID 11159465) is [(E)-hex-2-enyl] methyl carbonate.
What is the SMILES notation for [(E)-hex-2-enyl] methyl carbonate?
The canonical SMILES for [(E)-hex-2-enyl] methyl carbonate is CCC/C=C/COC(=O)OC.
What is the InChIKey of [(E)-hex-2-enyl] methyl carbonate?
The InChIKey is JLEQHDGACOVDNU-AATRIKPKSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-4-5-6-7-11-8(9)10-2/h5-6H,3-4,7H2,1-2H3/b6-5+.
What are the key properties of [(E)-hex-2-enyl] methyl carbonate?
[(E)-hex-2-enyl] methyl carbonate has a molecular weight of 158.20 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enyl] methyl carbonate is sourced from PubChem (CID 11159465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).