3-methylideneocta-4,7-dien-1-ol

C9H14O — CID 167443284

IUPAC3-methylideneocta-4,7-dien-1-ol
SMILESC=CCC=CC(=C)CCO
InChIInChI=1S/C9H14O/c1-3-4-5-6-9(2)7-8-10/h3,5-6,10H,1-2,4,7-8H2
InChIKeyQFLVUQZWMVCQNP-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.06
Rot. Bonds5

About 3-methylideneocta-4,7-dien-1-ol

3-methylideneocta-4,7-dien-1-ol (PubChem CID 167443284) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-methylideneocta-4,7-dien-1-ol.

Molecular Properties

Compound Name3-methylideneocta-4,7-dien-1-ol
PubChem CID167443284
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3-methylideneocta-4,7-dien-1-ol
SMILESC=CCC=CC(=C)CCO
InChIInChI=1S/C9H14O/c1-3-4-5-6-9(2)7-8-10/h3,5-6,10H,1-2,4,7-8H2
InChIKeyQFLVUQZWMVCQNP-UHFFFAOYSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E)-10-methyl-6-methylideneundeca-1,4,9-triene
CID 162518511
(Z)-6-[ethenyl(methyl)amino]-3-methylidenehept-4-en-1-ol
CID 118612507
(4Z,6Z)-6-ethyl-8-methylidenedeca-1,4,6-triene
CID 144773854
(4Z)-octa-1,4,7-trien-3-one
CID 134866608
(E)-6-methylidenenon-4-ene
CID 14364497
hexa-1,4-diene
CID 163631115
octa-2,4,7-trienoic acid
CID 173345547
6,7-difluoroocta-1,4,6-triene
CID 91531817
deca-3,6,9-trien-2-one
CID 139932510
(3Z,5Z)-2-methylnona-1,3,5,8-tetraene
CID 144596669
hexa-1,4-diene;hydrate
CID 162019515
(2E)-1-trimethylsilylhexa-2,5-dien-1-one
CID 11126675

Frequently Asked Questions

What is the IUPAC name of 3-methylideneocta-4,7-dien-1-ol?
The IUPAC name of 3-methylideneocta-4,7-dien-1-ol (CID 167443284) is 3-methylideneocta-4,7-dien-1-ol.
What is the SMILES notation for 3-methylideneocta-4,7-dien-1-ol?
The canonical SMILES for 3-methylideneocta-4,7-dien-1-ol is C=CCC=CC(=C)CCO.
What is the InChIKey of 3-methylideneocta-4,7-dien-1-ol?
The InChIKey is QFLVUQZWMVCQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-4-5-6-9(2)7-8-10/h3,5-6,10H,1-2,4,7-8H2.
What are the key properties of 3-methylideneocta-4,7-dien-1-ol?
3-methylideneocta-4,7-dien-1-ol has a molecular weight of 138.21 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylideneocta-4,7-dien-1-ol is sourced from PubChem (CID 167443284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).