2-methylundecan-5-ol

C12H26O — CID 544080

IUPAC2-methylundecan-5-ol
SMILESCCCCCCC(O)CCC(C)C
InChIInChI=1S/C12H26O/c1-4-5-6-7-8-12(13)10-9-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyIHRNKXOJQXUPBE-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.75
Rot. Bonds8

About 2-methylundecan-5-ol

2-methylundecan-5-ol (PubChem CID 544080) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-methylundecan-5-ol.

Molecular Properties

Compound Name2-methylundecan-5-ol
PubChem CID544080
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2-methylundecan-5-ol
SMILESCCCCCCC(O)CCC(C)C
InChIInChI=1S/C12H26O/c1-4-5-6-7-8-12(13)10-9-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyIHRNKXOJQXUPBE-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octadecane-8,11-diol
CID 101412726
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528
icosane-5,10-diol
CID 170722579

Frequently Asked Questions

What is the IUPAC name of 2-methylundecan-5-ol?
The IUPAC name of 2-methylundecan-5-ol (CID 544080) is 2-methylundecan-5-ol.
What is the SMILES notation for 2-methylundecan-5-ol?
The canonical SMILES for 2-methylundecan-5-ol is CCCCCCC(O)CCC(C)C.
What is the InChIKey of 2-methylundecan-5-ol?
The InChIKey is IHRNKXOJQXUPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-4-5-6-7-8-12(13)10-9-11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-methylundecan-5-ol?
2-methylundecan-5-ol has a molecular weight of 186.34 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylundecan-5-ol is sourced from PubChem (CID 544080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).