3-ethenylideneheptan-2-ol

C9H16O — CID 73314611

IUPAC3-ethenylideneheptan-2-ol
SMILESC=C=C(CCCC)C(C)O
InChIInChI=1S/C9H16O/c1-4-6-7-9(5-2)8(3)10/h8,10H,2,4,6-7H2,1,3H3
InChIKeyRRDRQXWZURODDK-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.27
Rot. Bonds4

About 3-ethenylideneheptan-2-ol

3-ethenylideneheptan-2-ol (PubChem CID 73314611) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-ethenylideneheptan-2-ol.

Molecular Properties

Compound Name3-ethenylideneheptan-2-ol
PubChem CID73314611
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-ethenylideneheptan-2-ol
SMILESC=C=C(CCCC)C(C)O
InChIInChI=1S/C9H16O/c1-4-6-7-9(5-2)8(3)10/h8,10H,2,4,6-7H2,1,3H3
InChIKeyRRDRQXWZURODDK-UHFFFAOYSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylideneheptan-2-ol?
The IUPAC name of 3-ethenylideneheptan-2-ol (CID 73314611) is 3-ethenylideneheptan-2-ol.
What is the SMILES notation for 3-ethenylideneheptan-2-ol?
The canonical SMILES for 3-ethenylideneheptan-2-ol is C=C=C(CCCC)C(C)O.
What is the InChIKey of 3-ethenylideneheptan-2-ol?
The InChIKey is RRDRQXWZURODDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-6-7-9(5-2)8(3)10/h8,10H,2,4,6-7H2,1,3H3.
What are the key properties of 3-ethenylideneheptan-2-ol?
3-ethenylideneheptan-2-ol has a molecular weight of 140.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylideneheptan-2-ol is sourced from PubChem (CID 73314611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).