(4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol

C12H20O — CID 24977374

IUPAC(4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol
SMILESC=CC(C)(O)/C=C\CCC=C(C)C
InChIInChI=1S/C12H20O/c1-5-12(4,13)10-8-6-7-9-11(2)3/h5,8-10,13H,1,6-7H2,2-4H3/b10-8-
InChIKeyRNWREGQBJRLPLV-NTMALXAHSA-N
MW180.29 g/mol
LogP3.23
Rot. Bonds5

About (4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol

(4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol (PubChem CID 24977374) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol.

Molecular Properties

Compound Name(4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol
PubChem CID24977374
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol
SMILESC=CC(C)(O)/C=C\CCC=C(C)C
InChIInChI=1S/C12H20O/c1-5-12(4,13)10-8-6-7-9-11(2)3/h5,8-10,13H,1,6-7H2,2-4H3/b10-8-
InChIKeyRNWREGQBJRLPLV-NTMALXAHSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 71330376
(3E)-8-methylnona-1,3,7-triene
CID 16752433
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CID 13122887
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol
CID 160907821
(6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene
CID 135269514
4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol
CID 10966171
3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503
5,9-dimethyldeca-2,8-dien-5-ol
CID 141182025
acetic acid;3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene
CID 174957070
(5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene
CID 138968984
(2E)-7-methylocta-2,6-dienoyl chloride
CID 14192462

Frequently Asked Questions

What is the IUPAC name of (4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol?
The IUPAC name of (4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol (CID 24977374) is (4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol.
What is the SMILES notation for (4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol?
The canonical SMILES for (4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol is C=CC(C)(O)/C=C\CCC=C(C)C.
What is the InChIKey of (4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol?
The InChIKey is RNWREGQBJRLPLV-NTMALXAHSA-N. The full InChI is InChI=1S/C12H20O/c1-5-12(4,13)10-8-6-7-9-11(2)3/h5,8-10,13H,1,6-7H2,2-4H3/b10-8-.
What are the key properties of (4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol?
(4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol has a molecular weight of 180.29 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol is sourced from PubChem (CID 24977374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).