(6E)-3,7-dimethyldeca-1,6,9-trien-2-ol

C12H20O — CID 89256398

IUPAC(6E)-3,7-dimethyldeca-1,6,9-trien-2-ol
SMILESC=CC/C(C)=C/CCC(C)C(=C)O
InChIInChI=1S/C12H20O/c1-5-7-10(2)8-6-9-11(3)12(4)13/h5,8,11,13H,1,4,6-7,9H2,2-3H3/b10-8+
InChIKeyLKIUDSHJQZTYOW-CSKARUKUSA-N
MW180.29 g/mol
LogP4.00
Rot. Bonds6

About (6E)-3,7-dimethyldeca-1,6,9-trien-2-ol

(6E)-3,7-dimethyldeca-1,6,9-trien-2-ol (PubChem CID 89256398) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (6E)-3,7-dimethyldeca-1,6,9-trien-2-ol.

Molecular Properties

Compound Name(6E)-3,7-dimethyldeca-1,6,9-trien-2-ol
PubChem CID89256398
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(6E)-3,7-dimethyldeca-1,6,9-trien-2-ol
SMILESC=CC/C(C)=C/CCC(C)C(=C)O
InChIInChI=1S/C12H20O/c1-5-7-10(2)8-6-9-11(3)12(4)13/h5,8,11,13H,1,4,6-7,9H2,2-3H3/b10-8+
InChIKeyLKIUDSHJQZTYOW-CSKARUKUSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-4-methylhepta-3,6-dien-1-ol
CID 14691517
8-methyl-4-methylidenedeca-1,7-diene
CID 152634439
(3Z)-4-methylhepta-3,6-dienoic acid
CID 14197243
(4E,7E)-4,7-dimethylnona-1,4,7-triene
CID 173333591
(4Z)-6-iodo-4-methylhexa-1,4-diene
CID 89280235
6-hydroxy-2,5-dimethylhept-6-enoic acid
CID 88859921
(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
CID 10036589
[(1E)-2-methylpenta-1,4-dienyl]-di(propan-2-yloxy)borane
CID 102168063
3,7-dimethyldeca-3,6,9-trien-2-amine
CID 123138602
(3E)-4,6,7-trimethylocta-3,7-dien-1-amine
CID 89277874
5,9-dimethyldeca-1,8-diene
CID 12578605
(7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one
CID 20591839

Frequently Asked Questions

What is the IUPAC name of (6E)-3,7-dimethyldeca-1,6,9-trien-2-ol?
The IUPAC name of (6E)-3,7-dimethyldeca-1,6,9-trien-2-ol (CID 89256398) is (6E)-3,7-dimethyldeca-1,6,9-trien-2-ol.
What is the SMILES notation for (6E)-3,7-dimethyldeca-1,6,9-trien-2-ol?
The canonical SMILES for (6E)-3,7-dimethyldeca-1,6,9-trien-2-ol is C=CC/C(C)=C/CCC(C)C(=C)O.
What is the InChIKey of (6E)-3,7-dimethyldeca-1,6,9-trien-2-ol?
The InChIKey is LKIUDSHJQZTYOW-CSKARUKUSA-N. The full InChI is InChI=1S/C12H20O/c1-5-7-10(2)8-6-9-11(3)12(4)13/h5,8,11,13H,1,4,6-7,9H2,2-3H3/b10-8+.
What are the key properties of (6E)-3,7-dimethyldeca-1,6,9-trien-2-ol?
(6E)-3,7-dimethyldeca-1,6,9-trien-2-ol has a molecular weight of 180.29 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3,7-dimethyldeca-1,6,9-trien-2-ol is sourced from PubChem (CID 89256398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).