[(2Z)-2-ethylidene-1-hydroxypentyl] formate

C8H14O3 — CID 143018862

IUPAC[(2Z)-2-ethylidene-1-hydroxypentyl] formate
SMILESC/C=C(/CCC)C(O)OC=O
InChIInChI=1S/C8H14O3/c1-3-5-7(4-2)8(10)11-6-9/h4,6,8,10H,3,5H2,1-2H3/b7-4-
InChIKeyZBYAVCARHVLKLU-DAXSKMNVSA-N
MW158.20 g/mol
LogP1.22
Rot. Bonds5

About [(2Z)-2-ethylidene-1-hydroxypentyl] formate

[(2Z)-2-ethylidene-1-hydroxypentyl] formate (PubChem CID 143018862) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(2Z)-2-ethylidene-1-hydroxypentyl] formate.

Molecular Properties

Compound Name[(2Z)-2-ethylidene-1-hydroxypentyl] formate
PubChem CID143018862
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[(2Z)-2-ethylidene-1-hydroxypentyl] formate
SMILESC/C=C(/CCC)C(O)OC=O
InChIInChI=1S/C8H14O3/c1-3-5-7(4-2)8(10)11-6-9/h4,6,8,10H,3,5H2,1-2H3/b7-4-
InChIKeyZBYAVCARHVLKLU-DAXSKMNVSA-N
XLogP1.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-ethylidene-1-hydroxypentyl] formate?
The IUPAC name of [(2Z)-2-ethylidene-1-hydroxypentyl] formate (CID 143018862) is [(2Z)-2-ethylidene-1-hydroxypentyl] formate.
What is the SMILES notation for [(2Z)-2-ethylidene-1-hydroxypentyl] formate?
The canonical SMILES for [(2Z)-2-ethylidene-1-hydroxypentyl] formate is C/C=C(/CCC)C(O)OC=O.
What is the InChIKey of [(2Z)-2-ethylidene-1-hydroxypentyl] formate?
The InChIKey is ZBYAVCARHVLKLU-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-5-7(4-2)8(10)11-6-9/h4,6,8,10H,3,5H2,1-2H3/b7-4-.
What are the key properties of [(2Z)-2-ethylidene-1-hydroxypentyl] formate?
[(2Z)-2-ethylidene-1-hydroxypentyl] formate has a molecular weight of 158.20 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-ethylidene-1-hydroxypentyl] formate is sourced from PubChem (CID 143018862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).