2-methyl-4-pentylphosphanylbutan-1-ol

C10H23OP — CID 137396769

IUPAC2-methyl-4-pentylphosphanylbutan-1-ol
SMILESCCCCCPCCC(C)CO
InChIInChI=1S/C10H23OP/c1-3-4-5-7-12-8-6-10(2)9-11/h10-12H,3-9H2,1-2H3
InChIKeyWGKJUQZLINUPKY-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.87
Rot. Bonds8

About 2-methyl-4-pentylphosphanylbutan-1-ol

2-methyl-4-pentylphosphanylbutan-1-ol (PubChem CID 137396769) has the molecular formula C10H23OP and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-methyl-4-pentylphosphanylbutan-1-ol.

Molecular Properties

Compound Name2-methyl-4-pentylphosphanylbutan-1-ol
PubChem CID137396769
Molecular FormulaC10H23OP
Molecular Weight190.27 g/mol
Exact Mass190.15
IUPAC Name2-methyl-4-pentylphosphanylbutan-1-ol
SMILESCCCCCPCCC(C)CO
InChIInChI=1S/C10H23OP/c1-3-4-5-7-12-8-6-10(2)9-11/h10-12H,3-9H2,1-2H3
InChIKeyWGKJUQZLINUPKY-UHFFFAOYSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylhexadecan-1-ol
CID 17218
(2R)-2-methyloctadecan-1-ol
CID 122453872
2-methylhexan-1-ol
CID 159157237
dipentylphosphane
CID 11105867
2,6-dimethyldodecan-1-ol
CID 14392571
decyl(undecyl)phosphane
CID 87830755
di(nonadecyl)phosphane
CID 87828565
dodecyl(octyl)phosphane
CID 87829037
2-methyl-6-octyltetradecan-1-ol
CID 174680408
5-ethyl-2-methyldecan-1-ol
CID 141378719
methanesulfonic acid;2-methylheptan-1-ol
CID 175345727
hexadecyl(propyl)phosphane
CID 158670728

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pentylphosphanylbutan-1-ol?
The IUPAC name of 2-methyl-4-pentylphosphanylbutan-1-ol (CID 137396769) is 2-methyl-4-pentylphosphanylbutan-1-ol.
What is the SMILES notation for 2-methyl-4-pentylphosphanylbutan-1-ol?
The canonical SMILES for 2-methyl-4-pentylphosphanylbutan-1-ol is CCCCCPCCC(C)CO.
What is the InChIKey of 2-methyl-4-pentylphosphanylbutan-1-ol?
The InChIKey is WGKJUQZLINUPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23OP/c1-3-4-5-7-12-8-6-10(2)9-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-methyl-4-pentylphosphanylbutan-1-ol?
2-methyl-4-pentylphosphanylbutan-1-ol has a molecular weight of 190.27 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pentylphosphanylbutan-1-ol is sourced from PubChem (CID 137396769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).