2-ethenylidenepentan-1-ol

C7H12O — CID 86206046

IUPAC2-ethenylidenepentan-1-ol
SMILESC=C=C(CO)CCC
InChIInChI=1S/C7H12O/c1-3-5-7(4-2)6-8/h8H,2-3,5-6H2,1H3
InChIKeyBQCCYSGNJUTAGA-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.49
Rot. Bonds3

About 2-ethenylidenepentan-1-ol

2-ethenylidenepentan-1-ol (PubChem CID 86206046) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-ethenylidenepentan-1-ol.

Molecular Properties

Compound Name2-ethenylidenepentan-1-ol
PubChem CID86206046
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-ethenylidenepentan-1-ol
SMILESC=C=C(CO)CCC
InChIInChI=1S/C7H12O/c1-3-5-7(4-2)6-8/h8H,2-3,5-6H2,1H3
InChIKeyBQCCYSGNJUTAGA-UHFFFAOYSA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylidenepentan-1-ol?
The IUPAC name of 2-ethenylidenepentan-1-ol (CID 86206046) is 2-ethenylidenepentan-1-ol.
What is the SMILES notation for 2-ethenylidenepentan-1-ol?
The canonical SMILES for 2-ethenylidenepentan-1-ol is C=C=C(CO)CCC.
What is the InChIKey of 2-ethenylidenepentan-1-ol?
The InChIKey is BQCCYSGNJUTAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-3-5-7(4-2)6-8/h8H,2-3,5-6H2,1H3.
What are the key properties of 2-ethenylidenepentan-1-ol?
2-ethenylidenepentan-1-ol has a molecular weight of 112.17 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylidenepentan-1-ol is sourced from PubChem (CID 86206046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).