2,5,9-trimethyldec-8-en-5-ol

C13H26O — CID 3020224

IUPAC2,5,9-trimethyldec-8-en-5-ol
SMILESCC(C)=CCCC(C)(O)CCC(C)C
InChIInChI=1S/C13H26O/c1-11(2)7-6-9-13(5,14)10-8-12(3)4/h7,12,14H,6,8-10H2,1-5H3
InChIKeyXNWZTHGGEVXZCM-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.92
Rot. Bonds6

About 2,5,9-trimethyldec-8-en-5-ol

2,5,9-trimethyldec-8-en-5-ol (PubChem CID 3020224) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2,5,9-trimethyldec-8-en-5-ol.

Molecular Properties

Compound Name2,5,9-trimethyldec-8-en-5-ol
PubChem CID3020224
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2,5,9-trimethyldec-8-en-5-ol
SMILESCC(C)=CCCC(C)(O)CCC(C)C
InChIInChI=1S/C13H26O/c1-11(2)7-6-9-13(5,14)10-8-12(3)4/h7,12,14H,6,8-10H2,1-5H3
InChIKeyXNWZTHGGEVXZCM-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.92
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 2,5,9-trimethyldec-8-en-5-ol?
The IUPAC name of 2,5,9-trimethyldec-8-en-5-ol (CID 3020224) is 2,5,9-trimethyldec-8-en-5-ol.
What is the SMILES notation for 2,5,9-trimethyldec-8-en-5-ol?
The canonical SMILES for 2,5,9-trimethyldec-8-en-5-ol is CC(C)=CCCC(C)(O)CCC(C)C.
What is the InChIKey of 2,5,9-trimethyldec-8-en-5-ol?
The InChIKey is XNWZTHGGEVXZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-11(2)7-6-9-13(5,14)10-8-12(3)4/h7,12,14H,6,8-10H2,1-5H3.
What are the key properties of 2,5,9-trimethyldec-8-en-5-ol?
2,5,9-trimethyldec-8-en-5-ol has a molecular weight of 198.35 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,9-trimethyldec-8-en-5-ol is sourced from PubChem (CID 3020224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).