4,8-dimethylnona-2,7-dien-4-ol

C11H20O — CID 71326916

IUPAC4,8-dimethylnona-2,7-dien-4-ol
SMILESCC=CC(C)(O)CCC=C(C)C
InChIInChI=1S/C11H20O/c1-5-8-11(4,12)9-6-7-10(2)3/h5,7-8,12H,6,9H2,1-4H3
InChIKeyQRNQFKQHNYFBCC-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.06
Rot. Bonds4

About 4,8-dimethylnona-2,7-dien-4-ol

4,8-dimethylnona-2,7-dien-4-ol (PubChem CID 71326916) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4,8-dimethylnona-2,7-dien-4-ol.

Molecular Properties

Compound Name4,8-dimethylnona-2,7-dien-4-ol
PubChem CID71326916
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4,8-dimethylnona-2,7-dien-4-ol
SMILESCC=CC(C)(O)CCC=C(C)C
InChIInChI=1S/C11H20O/c1-5-8-11(4,12)9-6-7-10(2)3/h5,7-8,12H,6,9H2,1-4H3
InChIKeyQRNQFKQHNYFBCC-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.06
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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Peruviol
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Dihydrolinalool
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Ethyl linalool
CID 6433547
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]-
CID 5320128
2,6-Dimethyl-5,7-octadien-2-ol
CID 22303
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CID 5281525
3,7-Dimethyl-1,5-octadien-3,7-diol
CID 5352451

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethylnona-2,7-dien-4-ol?
The IUPAC name of 4,8-dimethylnona-2,7-dien-4-ol (CID 71326916) is 4,8-dimethylnona-2,7-dien-4-ol.
What is the SMILES notation for 4,8-dimethylnona-2,7-dien-4-ol?
The canonical SMILES for 4,8-dimethylnona-2,7-dien-4-ol is CC=CC(C)(O)CCC=C(C)C.
What is the InChIKey of 4,8-dimethylnona-2,7-dien-4-ol?
The InChIKey is QRNQFKQHNYFBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-8-11(4,12)9-6-7-10(2)3/h5,7-8,12H,6,9H2,1-4H3.
What are the key properties of 4,8-dimethylnona-2,7-dien-4-ol?
4,8-dimethylnona-2,7-dien-4-ol has a molecular weight of 168.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethylnona-2,7-dien-4-ol is sourced from PubChem (CID 71326916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).