2-methyl-3-propan-2-yl-4-propylundecan-3-ol

C18H38O — CID 150563950

IUPAC2-methyl-3-propan-2-yl-4-propylundecan-3-ol
SMILESCCCCCCCC(CCC)C(O)(C(C)C)C(C)C
InChIInChI=1S/C18H38O/c1-7-9-10-11-12-14-17(13-8-2)18(19,15(3)4)16(5)6/h15-17,19H,7-14H2,1-6H3
InChIKeyIKKZWLZPLCNSPH-UHFFFAOYSA-N
MW270.50 g/mol
LogP5.81
Rot. Bonds11

About 2-methyl-3-propan-2-yl-4-propylundecan-3-ol

2-methyl-3-propan-2-yl-4-propylundecan-3-ol (PubChem CID 150563950) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yl-4-propylundecan-3-ol.

Molecular Properties

Compound Name2-methyl-3-propan-2-yl-4-propylundecan-3-ol
PubChem CID150563950
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name2-methyl-3-propan-2-yl-4-propylundecan-3-ol
SMILESCCCCCCCC(CCC)C(O)(C(C)C)C(C)C
InChIInChI=1S/C18H38O/c1-7-9-10-11-12-14-17(13-8-2)18(19,15(3)4)16(5)6/h15-17,19H,7-14H2,1-6H3
InChIKeyIKKZWLZPLCNSPH-UHFFFAOYSA-N
XLogP5.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 55.81
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

4-hexyl-2-methyl-3-propan-2-yldodecan-3-ol
CID 170161295
4-heptyl-2-methyl-3-propan-2-yldocosan-3-ol
CID 150620185
2-methyl-3-propan-2-yl-4-[5-(2,4,5-trifluorophenyl)pentyl]dodecan-3-ol
CID 151687437
3-ethyl-2-methylundecan-2-ol
CID 91236413
2-methyl-3-propan-2-yl-4-[6-[4-(trifluoromethyl)phenyl]hexyl]dodecan-3-ol
CID 151150657
2-hexyl-3-methylbutane-1,3-diol
CID 174875016
5-propyldecane-4,4-diol
CID 156789084
3-ethyl-4-pentyldodecan-3-ol
CID 91804160
5,5-dibutyl-6-propyltetradecane
CID 151501472
9-butyl-10-pentyloctadecan-9-ol
CID 90871150
4-ethylundecane-3,3-diol
CID 156789030
10-butyl-9-octyloctadecan-9-ol
CID 91405283

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yl-4-propylundecan-3-ol?
The IUPAC name of 2-methyl-3-propan-2-yl-4-propylundecan-3-ol (CID 150563950) is 2-methyl-3-propan-2-yl-4-propylundecan-3-ol.
What is the SMILES notation for 2-methyl-3-propan-2-yl-4-propylundecan-3-ol?
The canonical SMILES for 2-methyl-3-propan-2-yl-4-propylundecan-3-ol is CCCCCCCC(CCC)C(O)(C(C)C)C(C)C.
What is the InChIKey of 2-methyl-3-propan-2-yl-4-propylundecan-3-ol?
The InChIKey is IKKZWLZPLCNSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O/c1-7-9-10-11-12-14-17(13-8-2)18(19,15(3)4)16(5)6/h15-17,19H,7-14H2,1-6H3.
What are the key properties of 2-methyl-3-propan-2-yl-4-propylundecan-3-ol?
2-methyl-3-propan-2-yl-4-propylundecan-3-ol has a molecular weight of 270.50 g/mol, XLogP of 5.81, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yl-4-propylundecan-3-ol is sourced from PubChem (CID 150563950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).