(E)-2,5-dimethylhept-2-en-1-ol

C9H18O — CID 88722720

IUPAC(E)-2,5-dimethylhept-2-en-1-ol
SMILESCCC(C)C/C=C(\C)CO
InChIInChI=1S/C9H18O/c1-4-8(2)5-6-9(3)7-10/h6,8,10H,4-5,7H2,1-3H3/b9-6+
InChIKeyCLYCUTLAMWFSRL-RMKNXTFCSA-N
MW142.24 g/mol
LogP2.36
Rot. Bonds4

About (E)-2,5-dimethylhept-2-en-1-ol

(E)-2,5-dimethylhept-2-en-1-ol (PubChem CID 88722720) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (E)-2,5-dimethylhept-2-en-1-ol.

Molecular Properties

Compound Name(E)-2,5-dimethylhept-2-en-1-ol
PubChem CID88722720
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(E)-2,5-dimethylhept-2-en-1-ol
SMILESCCC(C)C/C=C(\C)CO
InChIInChI=1S/C9H18O/c1-4-8(2)5-6-9(3)7-10/h6,8,10H,4-5,7H2,1-3H3/b9-6+
InChIKeyCLYCUTLAMWFSRL-RMKNXTFCSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.36
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

(Z)-4,7-dimethylnon-4-ene
CID 143531390
(E)-5-methoxy-2,7-dimethylnon-2-en-1-ol
CID 87272716
2,5-dimethylhept-2-ene;ethane
CID 144650208
(E)-2,5,8-trimethyldec-5-en-3-ol
CID 143524733
(E)-2-fluoro-5-methylhept-2-ene
CID 89043043
2,5-dimethylhept-2-enamide
CID 140547183
7-bromo-3,6-dimethylhept-3-ene
CID 54367559
(E)-2,5,9-trimethylundec-4-ene
CID 157140245
(E)-5-methoxy-2,8-dimethylnon-2-en-1-ol
CID 87272421
(Z)-2,6-dimethyloct-2-ene-1,8-diol;methane
CID 175717951
3-methylpentanethial
CID 18959784
2,4-dimethylpent-2-en-1-ol
CID 54511819

Frequently Asked Questions

What is the IUPAC name of (E)-2,5-dimethylhept-2-en-1-ol?
The IUPAC name of (E)-2,5-dimethylhept-2-en-1-ol (CID 88722720) is (E)-2,5-dimethylhept-2-en-1-ol.
What is the SMILES notation for (E)-2,5-dimethylhept-2-en-1-ol?
The canonical SMILES for (E)-2,5-dimethylhept-2-en-1-ol is CCC(C)C/C=C(\C)CO.
What is the InChIKey of (E)-2,5-dimethylhept-2-en-1-ol?
The InChIKey is CLYCUTLAMWFSRL-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H18O/c1-4-8(2)5-6-9(3)7-10/h6,8,10H,4-5,7H2,1-3H3/b9-6+.
What are the key properties of (E)-2,5-dimethylhept-2-en-1-ol?
(E)-2,5-dimethylhept-2-en-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5-dimethylhept-2-en-1-ol is sourced from PubChem (CID 88722720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).