(E)-3,5-dimethylhex-2-en-1-ol

C8H16O — CID 13415310

IUPAC(E)-3,5-dimethylhex-2-en-1-ol
SMILESC/C(=C\CO)CC(C)C
InChIInChI=1S/C8H16O/c1-7(2)6-8(3)4-5-9/h4,7,9H,5-6H2,1-3H3/b8-4+
InChIKeyJIQWNHHUDWOKMU-XBXARRHUSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds3

About (E)-3,5-dimethylhex-2-en-1-ol

(E)-3,5-dimethylhex-2-en-1-ol (PubChem CID 13415310) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (E)-3,5-dimethylhex-2-en-1-ol.

Molecular Properties

Compound Name(E)-3,5-dimethylhex-2-en-1-ol
PubChem CID13415310
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(E)-3,5-dimethylhex-2-en-1-ol
SMILESC/C(=C\CO)CC(C)C
InChIInChI=1S/C8H16O/c1-7(2)6-8(3)4-5-9/h4,7,9H,5-6H2,1-3H3/b8-4+
InChIKeyJIQWNHHUDWOKMU-XBXARRHUSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3,5-dimethylhex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-3,7-dimethyloct-2-en-1-ol
CID 90708771
4,6-dimethylhept-3-en-1-amine
CID 76997294
1-chloro-4,6-dimethylhept-3-ene
CID 79603963
5,7-dimethyloct-4-enal
CID 154103325
(Z)-N,N,4,6-tetramethylhept-3-en-1-amine
CID 163544374
(E,5R)-3-methyloct-2-ene-1,5-diol
CID 163319747
(E)-1-iodo-2,4-dimethylpent-1-ene
CID 58173205
(2E,5E)-3,7-dimethylocta-2,5-dien-1-ol
CID 152758183
actinium;bis(3-methylhex-2-en-1-ol)
CID 160943648
(E)-4,6-dimethylhept-3-en-2-one
CID 12956006
(Z)-3-methylpent-2-ene-1,5-diol
CID 12561740
(2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene
CID 153404272

Frequently Asked Questions

What is the IUPAC name of (E)-3,5-dimethylhex-2-en-1-ol?
The IUPAC name of (E)-3,5-dimethylhex-2-en-1-ol (CID 13415310) is (E)-3,5-dimethylhex-2-en-1-ol.
What is the SMILES notation for (E)-3,5-dimethylhex-2-en-1-ol?
The canonical SMILES for (E)-3,5-dimethylhex-2-en-1-ol is C/C(=C\CO)CC(C)C.
What is the InChIKey of (E)-3,5-dimethylhex-2-en-1-ol?
The InChIKey is JIQWNHHUDWOKMU-XBXARRHUSA-N. The full InChI is InChI=1S/C8H16O/c1-7(2)6-8(3)4-5-9/h4,7,9H,5-6H2,1-3H3/b8-4+.
What are the key properties of (E)-3,5-dimethylhex-2-en-1-ol?
(E)-3,5-dimethylhex-2-en-1-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,5-dimethylhex-2-en-1-ol is sourced from PubChem (CID 13415310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).