(5E)-4-methylocta-5,7-dien-3-ol

C9H16O — CID 15579187

IUPAC(5E)-4-methylocta-5,7-dien-3-ol
SMILESC=C/C=C/C(C)C(O)CC
InChIInChI=1S/C9H16O/c1-4-6-7-8(3)9(10)5-2/h4,6-10H,1,5H2,2-3H3/b7-6+
InChIKeyXEFGFVHWGLKELH-VOTSOKGWSA-N
MW140.23 g/mol
LogP2.14
Rot. Bonds4

About (5E)-4-methylocta-5,7-dien-3-ol

(5E)-4-methylocta-5,7-dien-3-ol (PubChem CID 15579187) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (5E)-4-methylocta-5,7-dien-3-ol.

Molecular Properties

Compound Name(5E)-4-methylocta-5,7-dien-3-ol
PubChem CID15579187
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(5E)-4-methylocta-5,7-dien-3-ol
SMILESC=C/C=C/C(C)C(O)CC
InChIInChI=1S/C9H16O/c1-4-6-7-8(3)9(10)5-2/h4,6-10H,1,5H2,2-3H3/b7-6+
InChIKeyXEFGFVHWGLKELH-VOTSOKGWSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z,4S,5S)-4,5-dimethylhept-2-enal;(3Z,5R,6S)-5,6-dimethylocta-1,3-diene;(Z,4S,5R)-5-hydroxy-4-methylhept-2-enal;(Z,4R,5R)-5-hydroxy-4-methylhept-2-enal
CID 163428427
(4S,5R)-5-hydroxy-4-methylhept-2-enal
CID 173171870
5-ethyl-6-methylhepta-1,3-diene
CID 91204773
(E)-6-hydroxy-5-methyloct-3-en-2-one
CID 21022275
(2R,3R,4E)-hepta-4,6-diene-2,3-diol
CID 156581778
methyl (E,4S,5R)-5-hydroxy-4-methylhept-2-enoate
CID 11084337
(3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol
CID 88931873
(5E)-octa-5,7-dien-3-ol
CID 12576352
ethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane
CID 143351155
5-methylnona-1,3-diene
CID 90893682
(3S)-4-propan-2-ylhept-6-en-3-ol
CID 59039473
(5Z)-4-methylideneocta-5,7-dien-3-ol
CID 143759474

Frequently Asked Questions

What is the IUPAC name of (5E)-4-methylocta-5,7-dien-3-ol?
The IUPAC name of (5E)-4-methylocta-5,7-dien-3-ol (CID 15579187) is (5E)-4-methylocta-5,7-dien-3-ol.
What is the SMILES notation for (5E)-4-methylocta-5,7-dien-3-ol?
The canonical SMILES for (5E)-4-methylocta-5,7-dien-3-ol is C=C/C=C/C(C)C(O)CC.
What is the InChIKey of (5E)-4-methylocta-5,7-dien-3-ol?
The InChIKey is XEFGFVHWGLKELH-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H16O/c1-4-6-7-8(3)9(10)5-2/h4,6-10H,1,5H2,2-3H3/b7-6+.
What are the key properties of (5E)-4-methylocta-5,7-dien-3-ol?
(5E)-4-methylocta-5,7-dien-3-ol has a molecular weight of 140.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-methylocta-5,7-dien-3-ol is sourced from PubChem (CID 15579187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).