(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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Nerolidol
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(-)-Linalool
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Dehydrolinalool
CID 62842
Dihydrolinalool
CID 86749
Ethyl linalool
CID 6433547
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]-
CID 5320128
3,7,11-Trimethyldodeca-1,6,10-trien-3-ol
CID 8888
2,4,8-Trimethyl-7-nonen-2-ol
CID 14614417
2,6-Dimethyl-5,7-octadien-2-ol
CID 22303

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).