hex-3-en-3-yl methyl carbonate

C8H14O3 — CID 154021636

IUPAChex-3-en-3-yl methyl carbonate
SMILESCCC=C(CC)OC(=O)OC
InChIInChI=1S/C8H14O3/c1-4-6-7(5-2)11-8(9)10-3/h6H,4-5H2,1-3H3
InChIKeyUMESOVVYGUDPGS-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.47
Rot. Bonds3

About hex-3-en-3-yl methyl carbonate

hex-3-en-3-yl methyl carbonate (PubChem CID 154021636) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is hex-3-en-3-yl methyl carbonate.

Molecular Properties

Compound Namehex-3-en-3-yl methyl carbonate
PubChem CID154021636
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namehex-3-en-3-yl methyl carbonate
SMILESCCC=C(CC)OC(=O)OC
InChIInChI=1S/C8H14O3/c1-4-6-7(5-2)11-8(9)10-3/h6H,4-5H2,1-3H3
InChIKeyUMESOVVYGUDPGS-UHFFFAOYSA-N
XLogP2.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hex-3-en-3-yl methyl carbonate?
The IUPAC name of hex-3-en-3-yl methyl carbonate (CID 154021636) is hex-3-en-3-yl methyl carbonate.
What is the SMILES notation for hex-3-en-3-yl methyl carbonate?
The canonical SMILES for hex-3-en-3-yl methyl carbonate is CCC=C(CC)OC(=O)OC.
What is the InChIKey of hex-3-en-3-yl methyl carbonate?
The InChIKey is UMESOVVYGUDPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-6-7(5-2)11-8(9)10-3/h6H,4-5H2,1-3H3.
What are the key properties of hex-3-en-3-yl methyl carbonate?
hex-3-en-3-yl methyl carbonate has a molecular weight of 158.20 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hex-3-en-3-yl methyl carbonate is sourced from PubChem (CID 154021636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).