(3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol

C9H16O — CID 143682411

IUPAC(3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol
SMILESC/C=C/C(C)=C(/O)C(C)C
InChIInChI=1S/C9H16O/c1-5-6-8(4)9(10)7(2)3/h5-7,10H,1-4H3/b6-5+,9-8+
InChIKeyKSSXNJODUCPMCT-HHWLVVFRSA-N
MW140.23 g/mol
LogP3.05
Rot. Bonds2

About (3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol

(3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol (PubChem CID 143682411) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol.

Molecular Properties

Compound Name(3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol
PubChem CID143682411
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol
SMILESC/C=C/C(C)=C(/O)C(C)C
InChIInChI=1S/C9H16O/c1-5-6-8(4)9(10)7(2)3/h5-7,10H,1-4H3/b6-5+,9-8+
InChIKeyKSSXNJODUCPMCT-HHWLVVFRSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene
CID 164597534
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene
CID 123391151
(2Z,4E,6Z)-4-methyl-5-nitroocta-2,4,6-triene
CID 143769557
(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818
(2Z,4E)-6-methylhepta-2,4-dien-4-ol
CID 88856291
(2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol
CID 143045895
(2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene
CID 130242747
(3E,5Z)-3-methylhepta-1,3,5-trien-4-ol
CID 89289034
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
2-chloro-3-propan-2-yloxyhexa-2,4-diene
CID 123282119
1-aminoethanol;(E)-but-2-enoic acid
CID 87299473

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol?
The IUPAC name of (3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol (CID 143682411) is (3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol.
What is the SMILES notation for (3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol?
The canonical SMILES for (3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol is C/C=C/C(C)=C(/O)C(C)C.
What is the InChIKey of (3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol?
The InChIKey is KSSXNJODUCPMCT-HHWLVVFRSA-N. The full InChI is InChI=1S/C9H16O/c1-5-6-8(4)9(10)7(2)3/h5-7,10H,1-4H3/b6-5+,9-8+.
What are the key properties of (3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol?
(3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol has a molecular weight of 140.23 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol is sourced from PubChem (CID 143682411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).