2,5,5,8-tetramethylnona-1,6,7-trien-4-ol

C13H22O — CID 13456442

IUPAC2,5,5,8-tetramethylnona-1,6,7-trien-4-ol
SMILESC=C(C)CC(O)C(C)(C)C=C=C(C)C
InChIInChI=1S/C13H22O/c1-10(2)7-8-13(5,6)12(14)9-11(3)4/h8,12,14H,3,9H2,1-2,4-6H3
InChIKeyRCILAQDRWBZWNG-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.46
Rot. Bonds4

About 2,5,5,8-tetramethylnona-1,6,7-trien-4-ol

2,5,5,8-tetramethylnona-1,6,7-trien-4-ol (PubChem CID 13456442) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2,5,5,8-tetramethylnona-1,6,7-trien-4-ol.

Molecular Properties

Compound Name2,5,5,8-tetramethylnona-1,6,7-trien-4-ol
PubChem CID13456442
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2,5,5,8-tetramethylnona-1,6,7-trien-4-ol
SMILESC=C(C)CC(O)C(C)(C)C=C=C(C)C
InChIInChI=1S/C13H22O/c1-10(2)7-8-13(5,6)12(14)9-11(3)4/h8,12,14H,3,9H2,1-2,4-6H3
InChIKeyRCILAQDRWBZWNG-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.46
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 2,5,5,8-tetramethylnona-1,6,7-trien-4-ol?
The IUPAC name of 2,5,5,8-tetramethylnona-1,6,7-trien-4-ol (CID 13456442) is 2,5,5,8-tetramethylnona-1,6,7-trien-4-ol.
What is the SMILES notation for 2,5,5,8-tetramethylnona-1,6,7-trien-4-ol?
The canonical SMILES for 2,5,5,8-tetramethylnona-1,6,7-trien-4-ol is C=C(C)CC(O)C(C)(C)C=C=C(C)C.
What is the InChIKey of 2,5,5,8-tetramethylnona-1,6,7-trien-4-ol?
The InChIKey is RCILAQDRWBZWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-10(2)7-8-13(5,6)12(14)9-11(3)4/h8,12,14H,3,9H2,1-2,4-6H3.
What are the key properties of 2,5,5,8-tetramethylnona-1,6,7-trien-4-ol?
2,5,5,8-tetramethylnona-1,6,7-trien-4-ol has a molecular weight of 194.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,8-tetramethylnona-1,6,7-trien-4-ol is sourced from PubChem (CID 13456442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).