(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol

C12H22O — CID 22749874

IUPAC(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
SMILESCC/C(C)=C/CC/C(C)=C/CCO
InChIInChI=1S/C12H22O/c1-4-11(2)7-5-8-12(3)9-6-10-13/h7,9,13H,4-6,8,10H2,1-3H3/b11-7+,12-9+
InChIKeyPZJYOYWEUMBZJB-HNWKWBPYSA-N
MW182.31 g/mol
LogP3.45
Rot. Bonds6

About (3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol

(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol (PubChem CID 22749874) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol.

Molecular Properties

Compound Name(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
PubChem CID22749874
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
SMILESCC/C(C)=C/CC/C(C)=C/CCO
InChIInChI=1S/C12H22O/c1-4-11(2)7-5-8-12(3)9-6-10-13/h7,9,13H,4-6,8,10H2,1-3H3/b11-7+,12-9+
InChIKeyPZJYOYWEUMBZJB-HNWKWBPYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(Z)-3-methylhex-3-ene-1,6-diol
CID 129322397
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol
CID 156748576
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784
2,6-dimethylocta-1,5-diene
CID 54025904
6,11-dimethyltrideca-2,6,10-triene
CID 139931040
(E)-7-methylnon-6-en-3-one
CID 22749805
(E)-8-hydroxy-5-methyloct-5-en-2-one
CID 102321147
(E)-5-methylhept-4-enoic acid
CID 83694352
(5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne
CID 159745410

Frequently Asked Questions

What is the IUPAC name of (3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol?
The IUPAC name of (3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol (CID 22749874) is (3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol.
What is the SMILES notation for (3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol?
The canonical SMILES for (3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol is CC/C(C)=C/CC/C(C)=C/CCO.
What is the InChIKey of (3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol?
The InChIKey is PZJYOYWEUMBZJB-HNWKWBPYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-11(2)7-5-8-12(3)9-6-10-13/h7,9,13H,4-6,8,10H2,1-3H3/b11-7+,12-9+.
What are the key properties of (3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol?
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol is sourced from PubChem (CID 22749874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).