3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride

C16H36ClOP — CID 173417592

IUPAC3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride
SMILESCCCCCCCCCCCCC(C)C(C)(O)P.Cl
InChIInChI=1S/C16H35OP.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(3,17)18;/h15,17H,4-14,18H2,1-3H3;1H
InChIKeyFGHJNEDTZHCRQY-UHFFFAOYSA-N
MW310.89 g/mol
LogP5.94
Rot. Bonds12

About 3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride

3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride (PubChem CID 173417592) has the molecular formula C16H36ClOP and a molecular weight of 310.89 g/mol. Its IUPAC name is 3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride
PubChem CID173417592
Molecular FormulaC16H36ClOP
Molecular Weight310.89 g/mol
Exact Mass310.22
IUPAC Name3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride
SMILESCCCCCCCCCCCCC(C)C(C)(O)P.Cl
InChIInChI=1S/C16H35OP.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(3,17)18;/h15,17H,4-14,18H2,1-3H3;1H
InChIKeyFGHJNEDTZHCRQY-UHFFFAOYSA-N
XLogP5.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.89
LogP ≤ 55.94
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

2,3-dimethylnonan-2-ylphosphane;hydroiodide
CID 173158055
2-amino-3-methylheptadecan-2-ol
CID 88695872
(10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide
CID 173157963
2,2,3-trimethylundecane
CID 21285055
4-methyldodecane-3,3-diol
CID 152575890
3-ethyl-4-methyldodecan-3-ol
CID 173066950
(8-methyl-7-phosphanyltetradecan-7-yl)phosphane
CID 174915942
2-aminosulfanyl-3-methylpentadecan-2-ol
CID 175094628
5,6-dimethyl-5-propyltridecane-4,4-diol
CID 175779679
2,3-dimethylnonadecan-2-ylsilane
CID 175060938
2,3,3,4-tetramethylnonadecane
CID 174953704
2-chloro-2,3-dimethylnonane
CID 87897655

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride?
The IUPAC name of 3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride (CID 173417592) is 3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride.
What is the SMILES notation for 3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride?
The canonical SMILES for 3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride is CCCCCCCCCCCCC(C)C(C)(O)P.Cl.
What is the InChIKey of 3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride?
The InChIKey is FGHJNEDTZHCRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35OP.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(3,17)18;/h15,17H,4-14,18H2,1-3H3;1H.
What are the key properties of 3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride?
3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride has a molecular weight of 310.89 g/mol, XLogP of 5.94, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride is sourced from PubChem (CID 173417592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).