5,9-dimethyl-4-(3-methylbuta-1,3-dienyl)dec-8-en-1-ol

C17H30O — CID 71323330

IUPAC5,9-dimethyl-4-(3-methylbuta-1,3-dienyl)dec-8-en-1-ol
SMILESC=C(C)C=CC(CCCO)C(C)CCC=C(C)C
InChIInChI=1S/C17H30O/c1-14(2)8-6-9-16(5)17(10-7-13-18)12-11-15(3)4/h8,11-12,16-18H,3,6-7,9-10,13H2,1-2,4-5H3
InChIKeyONOFNMVUEBUAKI-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.89
Rot. Bonds9

About 5,9-dimethyl-4-(3-methylbuta-1,3-dienyl)dec-8-en-1-ol

5,9-dimethyl-4-(3-methylbuta-1,3-dienyl)dec-8-en-1-ol (PubChem CID 71323330) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 5,9-dimethyl-4-(3-methylbuta-1,3-dienyl)dec-8-en-1-ol.

Molecular Properties

Compound Name5,9-dimethyl-4-(3-methylbuta-1,3-dienyl)dec-8-en-1-ol
PubChem CID71323330
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name5,9-dimethyl-4-(3-methylbuta-1,3-dienyl)dec-8-en-1-ol
SMILESC=C(C)C=CC(CCCO)C(C)CCC=C(C)C
InChIInChI=1S/C17H30O/c1-14(2)8-6-9-16(5)17(10-7-13-18)12-11-15(3)4/h8,11-12,16-18H,3,6-7,9-10,13H2,1-2,4-5H3
InChIKeyONOFNMVUEBUAKI-UHFFFAOYSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.89
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

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(7E)-4,9-dimethyldeca-7,9-diene-1,6-diol
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(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene
CID 11106169
7-methyl-3-propan-2-ylocta-1,6-diene
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4,8-dimethylnon-7-en-3-ol
CID 3015366
(2R)-2,6-dimethylhept-5-en-1-amine
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(5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol
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CID 154099751

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyl-4-(3-methylbuta-1,3-dienyl)dec-8-en-1-ol?
The IUPAC name of 5,9-dimethyl-4-(3-methylbuta-1,3-dienyl)dec-8-en-1-ol (CID 71323330) is 5,9-dimethyl-4-(3-methylbuta-1,3-dienyl)dec-8-en-1-ol.
What is the SMILES notation for 5,9-dimethyl-4-(3-methylbuta-1,3-dienyl)dec-8-en-1-ol?
The canonical SMILES for 5,9-dimethyl-4-(3-methylbuta-1,3-dienyl)dec-8-en-1-ol is C=C(C)C=CC(CCCO)C(C)CCC=C(C)C.
What is the InChIKey of 5,9-dimethyl-4-(3-methylbuta-1,3-dienyl)dec-8-en-1-ol?
The InChIKey is ONOFNMVUEBUAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-14(2)8-6-9-16(5)17(10-7-13-18)12-11-15(3)4/h8,11-12,16-18H,3,6-7,9-10,13H2,1-2,4-5H3.
What are the key properties of 5,9-dimethyl-4-(3-methylbuta-1,3-dienyl)dec-8-en-1-ol?
5,9-dimethyl-4-(3-methylbuta-1,3-dienyl)dec-8-en-1-ol has a molecular weight of 250.43 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyl-4-(3-methylbuta-1,3-dienyl)dec-8-en-1-ol is sourced from PubChem (CID 71323330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).