5,6-dimethylhept-6-ene-1,4-diol

C9H18O2 — CID 22323961

IUPAC5,6-dimethylhept-6-ene-1,4-diol
SMILESC=C(C)C(C)C(O)CCCO
InChIInChI=1S/C9H18O2/c1-7(2)8(3)9(11)5-4-6-10/h8-11H,1,4-6H2,2-3H3
InChIKeyDPKMKMKZYFEXNH-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.33
Rot. Bonds5

About 5,6-dimethylhept-6-ene-1,4-diol

5,6-dimethylhept-6-ene-1,4-diol (PubChem CID 22323961) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 5,6-dimethylhept-6-ene-1,4-diol.

Molecular Properties

Compound Name5,6-dimethylhept-6-ene-1,4-diol
PubChem CID22323961
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name5,6-dimethylhept-6-ene-1,4-diol
SMILESC=C(C)C(C)C(O)CCCO
InChIInChI=1S/C9H18O2/c1-7(2)8(3)9(11)5-4-6-10/h8-11H,1,4-6H2,2-3H3
InChIKeyDPKMKMKZYFEXNH-UHFFFAOYSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5,6-dimethylhept-6-ene-1,4-diol?
The IUPAC name of 5,6-dimethylhept-6-ene-1,4-diol (CID 22323961) is 5,6-dimethylhept-6-ene-1,4-diol.
What is the SMILES notation for 5,6-dimethylhept-6-ene-1,4-diol?
The canonical SMILES for 5,6-dimethylhept-6-ene-1,4-diol is C=C(C)C(C)C(O)CCCO.
What is the InChIKey of 5,6-dimethylhept-6-ene-1,4-diol?
The InChIKey is DPKMKMKZYFEXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(2)8(3)9(11)5-4-6-10/h8-11H,1,4-6H2,2-3H3.
What are the key properties of 5,6-dimethylhept-6-ene-1,4-diol?
5,6-dimethylhept-6-ene-1,4-diol has a molecular weight of 158.24 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylhept-6-ene-1,4-diol is sourced from PubChem (CID 22323961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).