(2Z)-4,8-dimethylnona-2,7-dien-4-ol

C11H20O — CID 90239588

IUPAC(2Z)-4,8-dimethylnona-2,7-dien-4-ol
SMILESC/C=C\C(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/b8-5-
InChIKeyQRNQFKQHNYFBCC-YVMONPNESA-N
MW168.28 g/mol
LogP3.06
Rot. Bonds4

About (2Z)-4,8-dimethylnona-2,7-dien-4-ol

(2Z)-4,8-dimethylnona-2,7-dien-4-ol (PubChem CID 90239588) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2Z)-4,8-dimethylnona-2,7-dien-4-ol.

Molecular Properties

Compound Name(2Z)-4,8-dimethylnona-2,7-dien-4-ol
PubChem CID90239588
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2Z)-4,8-dimethylnona-2,7-dien-4-ol
SMILESC/C=C\C(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/b8-5-
InChIKeyQRNQFKQHNYFBCC-YVMONPNESA-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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Frequently Asked Questions

What is the IUPAC name of (2Z)-4,8-dimethylnona-2,7-dien-4-ol?
The IUPAC name of (2Z)-4,8-dimethylnona-2,7-dien-4-ol (CID 90239588) is (2Z)-4,8-dimethylnona-2,7-dien-4-ol.
What is the SMILES notation for (2Z)-4,8-dimethylnona-2,7-dien-4-ol?
The canonical SMILES for (2Z)-4,8-dimethylnona-2,7-dien-4-ol is C/C=C\C(C)(O)CCC=C(C)C.
What is the InChIKey of (2Z)-4,8-dimethylnona-2,7-dien-4-ol?
The InChIKey is QRNQFKQHNYFBCC-YVMONPNESA-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/b8-5-.
What are the key properties of (2Z)-4,8-dimethylnona-2,7-dien-4-ol?
(2Z)-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 (2Z)-4,8-dimethylnona-2,7-dien-4-ol is sourced from PubChem (CID 90239588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).