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

C9H18O — CID 10931542

IUPAC(E)-2,5-dimethylhept-5-en-2-ol
SMILESC/C=C(\C)CCC(C)(C)O
InChIInChI=1S/C9H18O/c1-5-8(2)6-7-9(3,4)10/h5,10H,6-7H2,1-4H3/b8-5+
InChIKeyCGBKQNNTSQUIOU-VMPITWQZSA-N
MW142.24 g/mol
LogP2.50
Rot. Bonds3

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

(E)-2,5-dimethylhept-5-en-2-ol (PubChem CID 10931542) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (E)-2,5-dimethylhept-5-en-2-ol.

Molecular Properties

Compound Name(E)-2,5-dimethylhept-5-en-2-ol
PubChem CID10931542
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(E)-2,5-dimethylhept-5-en-2-ol
SMILESC/C=C(\C)CCC(C)(C)O
InChIInChI=1S/C9H18O/c1-5-8(2)6-7-9(3,4)10/h5,10H,6-7H2,1-4H3/b8-5+
InChIKeyCGBKQNNTSQUIOU-VMPITWQZSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.50
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

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2,6,10-trimethyldodeca-2,10-dien-6-ol
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(Z)-3-methylpent-3-en-1-ol
CID 12576400
(E)-7-hydroxy-3,7-dimethyloct-2-enal
CID 13023839
(E)-7-hydroxy-3,7-dimethyloct-2-enoic acid
CID 15726749
7-hydroxy-3,7-dimethyloct-2-enenitrile
CID 88756836
5-bromo-2-methylhex-5-en-2-ol
CID 10750293
2-methyldec-8-en-2-ol
CID 173164582
(E)-3-methyl-6-methylsulfanylhex-2-ene
CID 87187682
potassium 4-hydroxy-4-methylpentanoate
CID 75421081
(E)-6,7-dichloro-3,7-dimethyloct-2-ene
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Frequently Asked Questions

What is the IUPAC name of (E)-2,5-dimethylhept-5-en-2-ol?
The IUPAC name of (E)-2,5-dimethylhept-5-en-2-ol (CID 10931542) is (E)-2,5-dimethylhept-5-en-2-ol.
What is the SMILES notation for (E)-2,5-dimethylhept-5-en-2-ol?
The canonical SMILES for (E)-2,5-dimethylhept-5-en-2-ol is C/C=C(\C)CCC(C)(C)O.
What is the InChIKey of (E)-2,5-dimethylhept-5-en-2-ol?
The InChIKey is CGBKQNNTSQUIOU-VMPITWQZSA-N. The full InChI is InChI=1S/C9H18O/c1-5-8(2)6-7-9(3,4)10/h5,10H,6-7H2,1-4H3/b8-5+.
What are the key properties of (E)-2,5-dimethylhept-5-en-2-ol?
(E)-2,5-dimethylhept-5-en-2-ol has a molecular weight of 142.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5-dimethylhept-5-en-2-ol is sourced from PubChem (CID 10931542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).