trihydroxy-methyl-undecyl-λ5-phosphane

C12H29O3P — CID 87283197

IUPACtrihydroxy-methyl-undecyl-λ5-phosphane
SMILESCCCCCCCCCCCP(C)(O)(O)O
InChIInChI=1S/C12H29O3P/c1-3-4-5-6-7-8-9-10-11-12-16(2,13,14)15/h13-15H,3-12H2,1-2H3
InChIKeySWUQEJGKBMRKOM-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.42
Rot. Bonds10

About trihydroxy-methyl-undecyl-λ5-phosphane

trihydroxy-methyl-undecyl-λ5-phosphane (PubChem CID 87283197) has the molecular formula C12H29O3P and a molecular weight of 252.33 g/mol. Its IUPAC name is trihydroxy-methyl-undecyl-λ5-phosphane.

Molecular Properties

Compound Nametrihydroxy-methyl-undecyl-λ5-phosphane
PubChem CID87283197
Molecular FormulaC12H29O3P
Molecular Weight252.33 g/mol
Exact Mass252.19
IUPAC Nametrihydroxy-methyl-undecyl-λ5-phosphane
SMILESCCCCCCCCCCCP(C)(O)(O)O
InChIInChI=1S/C12H29O3P/c1-3-4-5-6-7-8-9-10-11-12-16(2,13,14)15/h13-15H,3-12H2,1-2H3
InChIKeySWUQEJGKBMRKOM-UHFFFAOYSA-N
XLogP3.42
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

butyl-trihydroxy-methyl-λ5-phosphane
CID 87283068
chloro-didecyl-dihydroxy-λ5-phosphane
CID 88807226
bromo-methyl-trioctyl-lambda5-phosphane
CID 14009537
chloro-trimethyl-tetracosyl-λ5-phosphane
CID 140680178
bromo-trimethyl-tricosyl-λ5-phosphane
CID 140680177
bromo-hexyl-trimethyl-λ5-phosphane
CID 140527909
triheptyl-iodo-methyl-λ5-phosphane
CID 140527858
iodo-trimethyl-nonyl-λ5-phosphane
CID 140527821
methanol;undecane
CID 161373911
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of trihydroxy-methyl-undecyl-λ5-phosphane?
The IUPAC name of trihydroxy-methyl-undecyl-λ5-phosphane (CID 87283197) is trihydroxy-methyl-undecyl-λ5-phosphane.
What is the SMILES notation for trihydroxy-methyl-undecyl-λ5-phosphane?
The canonical SMILES for trihydroxy-methyl-undecyl-λ5-phosphane is CCCCCCCCCCCP(C)(O)(O)O.
What is the InChIKey of trihydroxy-methyl-undecyl-λ5-phosphane?
The InChIKey is SWUQEJGKBMRKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29O3P/c1-3-4-5-6-7-8-9-10-11-12-16(2,13,14)15/h13-15H,3-12H2,1-2H3.
What are the key properties of trihydroxy-methyl-undecyl-λ5-phosphane?
trihydroxy-methyl-undecyl-λ5-phosphane has a molecular weight of 252.33 g/mol, XLogP of 3.42, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-methyl-undecyl-λ5-phosphane is sourced from PubChem (CID 87283197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).