5-methylundecan-5-ol

C12H26O — CID 10877850

IUPAC5-methylundecan-5-ol
SMILESCCCCCCC(C)(O)CCCC
InChIInChI=1S/C12H26O/c1-4-6-8-9-11-12(3,13)10-7-5-2/h13H,4-11H2,1-3H3
InChIKeyUBPIXMRNQVOZNL-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.90
Rot. Bonds8

About 5-methylundecan-5-ol

5-methylundecan-5-ol (PubChem CID 10877850) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 5-methylundecan-5-ol.

Molecular Properties

Compound Name5-methylundecan-5-ol
PubChem CID10877850
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name5-methylundecan-5-ol
SMILESCCCCCCC(C)(O)CCCC
InChIInChI=1S/C12H26O/c1-4-6-8-9-11-12(3,13)10-7-5-2/h13H,4-11H2,1-3H3
InChIKeyUBPIXMRNQVOZNL-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
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

Tetrahydrolinalool
CID 6548
1-Methylcycloheptan-1-ol
CID 77376
2-Methyl-2-heptanol
CID 12242
3,6-Dimethyl-3-octanol
CID 9027
2,6-Dimethyl-2-heptanol
CID 83268
Tetrahydromyrcenol
CID 86751
2-Octanol, 2-methyl-
CID 69406
2,4-Dimethyl-4-nonanol
CID 3018500
3-Methyl-3-octanol
CID 21432
1-Ethylcyclohexanol
CID 16021
1-Propyl-1-cyclopentanol
CID 98267
2,7-Dimethyl-2,7-octanediol
CID 140597

Frequently Asked Questions

What is the IUPAC name of 5-methylundecan-5-ol?
The IUPAC name of 5-methylundecan-5-ol (CID 10877850) is 5-methylundecan-5-ol.
What is the SMILES notation for 5-methylundecan-5-ol?
The canonical SMILES for 5-methylundecan-5-ol is CCCCCCC(C)(O)CCCC.
What is the InChIKey of 5-methylundecan-5-ol?
The InChIKey is UBPIXMRNQVOZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-4-6-8-9-11-12(3,13)10-7-5-2/h13H,4-11H2,1-3H3.
What are the key properties of 5-methylundecan-5-ol?
5-methylundecan-5-ol has a molecular weight of 186.34 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylundecan-5-ol is sourced from PubChem (CID 10877850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).