6,10-dimethylundec-2-en-4-ol

C13H26O — CID 54571136

IUPAC6,10-dimethylundec-2-en-4-ol
SMILESCC=CC(O)CC(C)CCCC(C)C
InChIInChI=1S/C13H26O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h5,7,11-14H,6,8-10H2,1-4H3
InChIKeyZXIHUFSIWWYTEZ-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.78
Rot. Bonds7

About 6,10-dimethylundec-2-en-4-ol

6,10-dimethylundec-2-en-4-ol (PubChem CID 54571136) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 6,10-dimethylundec-2-en-4-ol.

Molecular Properties

Compound Name6,10-dimethylundec-2-en-4-ol
PubChem CID54571136
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name6,10-dimethylundec-2-en-4-ol
SMILESCC=CC(O)CC(C)CCCC(C)C
InChIInChI=1S/C13H26O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h5,7,11-14H,6,8-10H2,1-4H3
InChIKeyZXIHUFSIWWYTEZ-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.78
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 6,10-dimethylundec-2-en-4-ol?
The IUPAC name of 6,10-dimethylundec-2-en-4-ol (CID 54571136) is 6,10-dimethylundec-2-en-4-ol.
What is the SMILES notation for 6,10-dimethylundec-2-en-4-ol?
The canonical SMILES for 6,10-dimethylundec-2-en-4-ol is CC=CC(O)CC(C)CCCC(C)C.
What is the InChIKey of 6,10-dimethylundec-2-en-4-ol?
The InChIKey is ZXIHUFSIWWYTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h5,7,11-14H,6,8-10H2,1-4H3.
What are the key properties of 6,10-dimethylundec-2-en-4-ol?
6,10-dimethylundec-2-en-4-ol has a molecular weight of 198.35 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethylundec-2-en-4-ol is sourced from PubChem (CID 54571136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).