2,6-dimethylhept-6-en-2-ol

C9H18O — CID 520592

IUPAC2,6-dimethylhept-6-en-2-ol
SMILESC=C(C)CCCC(C)(C)O
InChIInChI=1S/C9H18O/c1-8(2)6-5-7-9(3,4)10/h10H,1,5-7H2,2-4H3
InChIKeyICHVSYBMEODCOO-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.50
Rot. Bonds4

About 2,6-dimethylhept-6-en-2-ol

2,6-dimethylhept-6-en-2-ol (PubChem CID 520592) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2,6-dimethylhept-6-en-2-ol.

Molecular Properties

Compound Name2,6-dimethylhept-6-en-2-ol
PubChem CID520592
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2,6-dimethylhept-6-en-2-ol
SMILESC=C(C)CCCC(C)(C)O
InChIInChI=1S/C9H18O/c1-8(2)6-5-7-9(3,4)10/h10H,1,5-7H2,2-4H3
InChIKeyICHVSYBMEODCOO-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylhept-6-en-2-ol?
The IUPAC name of 2,6-dimethylhept-6-en-2-ol (CID 520592) is 2,6-dimethylhept-6-en-2-ol.
What is the SMILES notation for 2,6-dimethylhept-6-en-2-ol?
The canonical SMILES for 2,6-dimethylhept-6-en-2-ol is C=C(C)CCCC(C)(C)O.
What is the InChIKey of 2,6-dimethylhept-6-en-2-ol?
The InChIKey is ICHVSYBMEODCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2)6-5-7-9(3,4)10/h10H,1,5-7H2,2-4H3.
What are the key properties of 2,6-dimethylhept-6-en-2-ol?
2,6-dimethylhept-6-en-2-ol has a molecular weight of 142.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylhept-6-en-2-ol is sourced from PubChem (CID 520592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).