(2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol

C12H20O — CID 102272672

IUPAC(2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol
SMILESC/C=C/[C@H](C)/C=C(\C)C/C=C/CO
InChIInChI=1S/C12H20O/c1-4-7-11(2)10-12(3)8-5-6-9-13/h4-7,10-11,13H,8-9H2,1-3H3/b6-5+,7-4+,12-10+/t11-/m0/s1
InChIKeyINCBPMMVCLERAW-ZUEIOARFSA-N
MW180.29 g/mol
LogP3.08
Rot. Bonds5

About (2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol

(2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol (PubChem CID 102272672) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol.

Molecular Properties

Compound Name(2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol
PubChem CID102272672
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol
SMILESC/C=C/[C@H](C)/C=C(\C)C/C=C/CO
InChIInChI=1S/C12H20O/c1-4-7-11(2)10-12(3)8-5-6-9-13/h4-7,10-11,13H,8-9H2,1-3H3/b6-5+,7-4+,12-10+/t11-/m0/s1
InChIKeyINCBPMMVCLERAW-ZUEIOARFSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol with MolForge

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Related Compounds

(2Z,5E)-4-methylhepta-2,5-dien-2-ol
CID 158634176
(2Z,5Z)-8-fluoro-5,7-dimethylocta-2,5-diene
CID 143508838
(2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol
CID 102203445
4,7-dimethyldodeca-2,6,9-triene
CID 123962716
tert-butyl [(2Z,4S,5S,6E,9E)-11-hydroxy-2-iodo-4,7-dimethylundeca-2,6,9-trien-5-yl] carbonate
CID 16757116
(E)-4-methylpent-2-en-1-ol
CID 5362786
(2E,5E)-3,7-dimethylocta-2,5-dien-1-ol
CID 152758183
3-methylhepta-2,5-dien-1-ol
CID 167443292
(4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol
CID 132557737
(3Z)-2,5-dimethylocta-1,3,6-triene
CID 144587604
(E,4S,5R)-4,5-dichlorohex-2-en-1-ol
CID 25187324
(Z,2S)-2-methylpent-3-en-1-ol
CID 101124729

Frequently Asked Questions

What is the IUPAC name of (2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol?
The IUPAC name of (2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol (CID 102272672) is (2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol.
What is the SMILES notation for (2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol?
The canonical SMILES for (2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol is C/C=C/[C@H](C)/C=C(\C)C/C=C/CO.
What is the InChIKey of (2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol?
The InChIKey is INCBPMMVCLERAW-ZUEIOARFSA-N. The full InChI is InChI=1S/C12H20O/c1-4-7-11(2)10-12(3)8-5-6-9-13/h4-7,10-11,13H,8-9H2,1-3H3/b6-5+,7-4+,12-10+/t11-/m0/s1.
What are the key properties of (2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol?
(2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol has a molecular weight of 180.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol is sourced from PubChem (CID 102272672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).