2,10-dimethylundec-10-en-2-ol

C13H26O — CID 170848213

IUPAC2,10-dimethylundec-10-en-2-ol
SMILESC=C(C)CCCCCCCC(C)(C)O
InChIInChI=1S/C13H26O/c1-12(2)10-8-6-5-7-9-11-13(3,4)14/h14H,1,5-11H2,2-4H3
InChIKeyKEQJFQRBTIJGRS-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.06
Rot. Bonds8

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

2,10-dimethylundec-10-en-2-ol (PubChem CID 170848213) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2,10-dimethylundec-10-en-2-ol.

Molecular Properties

Compound Name2,10-dimethylundec-10-en-2-ol
PubChem CID170848213
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2,10-dimethylundec-10-en-2-ol
SMILESC=C(C)CCCCCCCC(C)(C)O
InChIInChI=1S/C13H26O/c1-12(2)10-8-6-5-7-9-11-13(3,4)14/h14H,1,5-11H2,2-4H3
InChIKeyKEQJFQRBTIJGRS-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 143077596
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Frequently Asked Questions

What is the IUPAC name of 2,10-dimethylundec-10-en-2-ol?
The IUPAC name of 2,10-dimethylundec-10-en-2-ol (CID 170848213) is 2,10-dimethylundec-10-en-2-ol.
What is the SMILES notation for 2,10-dimethylundec-10-en-2-ol?
The canonical SMILES for 2,10-dimethylundec-10-en-2-ol is C=C(C)CCCCCCCC(C)(C)O.
What is the InChIKey of 2,10-dimethylundec-10-en-2-ol?
The InChIKey is KEQJFQRBTIJGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-12(2)10-8-6-5-7-9-11-13(3,4)14/h14H,1,5-11H2,2-4H3.
What are the key properties of 2,10-dimethylundec-10-en-2-ol?
2,10-dimethylundec-10-en-2-ol has a molecular weight of 198.35 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dimethylundec-10-en-2-ol is sourced from PubChem (CID 170848213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).