(1E)-2,6-dimethylhepta-1,5-dien-1-ol

C9H16O — CID 12944525

IUPAC(1E)-2,6-dimethylhepta-1,5-dien-1-ol
SMILESCC(C)=CCC/C(C)=C/O
InChIInChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,10H,4,6H2,1-3H3/b9-7+
InChIKeyBNWWJOLOPASZSC-VQHVLOKHSA-N
MW140.23 g/mol
LogP3.19
Rot. Bonds3

About (1E)-2,6-dimethylhepta-1,5-dien-1-ol

(1E)-2,6-dimethylhepta-1,5-dien-1-ol (PubChem CID 12944525) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1E)-2,6-dimethylhepta-1,5-dien-1-ol.

Molecular Properties

Compound Name(1E)-2,6-dimethylhepta-1,5-dien-1-ol
PubChem CID12944525
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1E)-2,6-dimethylhepta-1,5-dien-1-ol
SMILESCC(C)=CCC/C(C)=C/O
InChIInChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,10H,4,6H2,1-3H3/b9-7+
InChIKeyBNWWJOLOPASZSC-VQHVLOKHSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 53.19
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

(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
2,6-dimethylocta-1,5,7-trien-1-ol
CID 176884331
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(2Z)-3,7-dimethylocta-2,6-dien-1-amine
CID 5362850
1-deuterio-3,7-dimethylocta-2,6-diene
CID 175725290

Frequently Asked Questions

What is the IUPAC name of (1E)-2,6-dimethylhepta-1,5-dien-1-ol?
The IUPAC name of (1E)-2,6-dimethylhepta-1,5-dien-1-ol (CID 12944525) is (1E)-2,6-dimethylhepta-1,5-dien-1-ol.
What is the SMILES notation for (1E)-2,6-dimethylhepta-1,5-dien-1-ol?
The canonical SMILES for (1E)-2,6-dimethylhepta-1,5-dien-1-ol is CC(C)=CCC/C(C)=C/O.
What is the InChIKey of (1E)-2,6-dimethylhepta-1,5-dien-1-ol?
The InChIKey is BNWWJOLOPASZSC-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,10H,4,6H2,1-3H3/b9-7+.
What are the key properties of (1E)-2,6-dimethylhepta-1,5-dien-1-ol?
(1E)-2,6-dimethylhepta-1,5-dien-1-ol has a molecular weight of 140.23 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2,6-dimethylhepta-1,5-dien-1-ol is sourced from PubChem (CID 12944525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).