3,3,7,8,8-pentamethylnon-6-en-1-ol

C14H28O — CID 123476241

IUPAC3,3,7,8,8-pentamethylnon-6-en-1-ol
SMILESCC(=CCCC(C)(C)CCO)C(C)(C)C
InChIInChI=1S/C14H28O/c1-12(13(2,3)4)8-7-9-14(5,6)10-11-15/h8,15H,7,9-11H2,1-6H3
InChIKeyWZRCQLKKOPYSNJ-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.17
Rot. Bonds5

About 3,3,7,8,8-pentamethylnon-6-en-1-ol

3,3,7,8,8-pentamethylnon-6-en-1-ol (PubChem CID 123476241) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 3,3,7,8,8-pentamethylnon-6-en-1-ol.

Molecular Properties

Compound Name3,3,7,8,8-pentamethylnon-6-en-1-ol
PubChem CID123476241
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name3,3,7,8,8-pentamethylnon-6-en-1-ol
SMILESCC(=CCCC(C)(C)CCO)C(C)(C)C
InChIInChI=1S/C14H28O/c1-12(13(2,3)4)8-7-9-14(5,6)10-11-15/h8,15H,7,9-11H2,1-6H3
InChIKeyWZRCQLKKOPYSNJ-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.17
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 3,3,7,8,8-pentamethylnon-6-en-1-ol?
The IUPAC name of 3,3,7,8,8-pentamethylnon-6-en-1-ol (CID 123476241) is 3,3,7,8,8-pentamethylnon-6-en-1-ol.
What is the SMILES notation for 3,3,7,8,8-pentamethylnon-6-en-1-ol?
The canonical SMILES for 3,3,7,8,8-pentamethylnon-6-en-1-ol is CC(=CCCC(C)(C)CCO)C(C)(C)C.
What is the InChIKey of 3,3,7,8,8-pentamethylnon-6-en-1-ol?
The InChIKey is WZRCQLKKOPYSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-12(13(2,3)4)8-7-9-14(5,6)10-11-15/h8,15H,7,9-11H2,1-6H3.
What are the key properties of 3,3,7,8,8-pentamethylnon-6-en-1-ol?
3,3,7,8,8-pentamethylnon-6-en-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7,8,8-pentamethylnon-6-en-1-ol is sourced from PubChem (CID 123476241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).