trihydroxy-methyl-pentan-2-yl-λ5-phosphane

C6H17O3P — CID 126613780

IUPACtrihydroxy-methyl-pentan-2-yl-λ5-phosphane
SMILESCCCC(C)P(C)(O)(O)O
InChIInChI=1S/C6H17O3P/c1-4-5-6(2)10(3,7,8)9/h6-9H,4-5H2,1-3H3
InChIKeyUYNOIWBGMWEQHN-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.08
Rot. Bonds3

About trihydroxy-methyl-pentan-2-yl-λ5-phosphane

trihydroxy-methyl-pentan-2-yl-λ5-phosphane (PubChem CID 126613780) has the molecular formula C6H17O3P and a molecular weight of 168.17 g/mol. Its IUPAC name is trihydroxy-methyl-pentan-2-yl-λ5-phosphane.

Molecular Properties

Compound Nametrihydroxy-methyl-pentan-2-yl-λ5-phosphane
PubChem CID126613780
Molecular FormulaC6H17O3P
Molecular Weight168.17 g/mol
Exact Mass168.09
IUPAC Nametrihydroxy-methyl-pentan-2-yl-λ5-phosphane
SMILESCCCC(C)P(C)(O)(O)O
InChIInChI=1S/C6H17O3P/c1-4-5-6(2)10(3,7,8)9/h6-9H,4-5H2,1-3H3
InChIKeyUYNOIWBGMWEQHN-UHFFFAOYSA-N
XLogP1.08
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-trimethyl-propyl-λ5-phosphane
CID 140644824
(2R)-pentan-2-ol
CID 7014876
butan-2-yl-trihydroxy-propyl-λ5-phosphane
CID 87283042
2-methyl-1-sulfanylpentan-1-ol
CID 154061587
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
2-methylpentane
CID 7892
(3R)-3,4-dimethylheptane
CID 59819300
(E)-3,5-dimethyloct-3-en-2-ol
CID 87272540
N-butan-2-ylheptan-4-amine
CID 43190303
(2R)-3-methylhexan-2-ol
CID 88692749
N,N-dihydroxypentan-2-amine
CID 87329779

Frequently Asked Questions

What is the IUPAC name of trihydroxy-methyl-pentan-2-yl-λ5-phosphane?
The IUPAC name of trihydroxy-methyl-pentan-2-yl-λ5-phosphane (CID 126613780) is trihydroxy-methyl-pentan-2-yl-λ5-phosphane.
What is the SMILES notation for trihydroxy-methyl-pentan-2-yl-λ5-phosphane?
The canonical SMILES for trihydroxy-methyl-pentan-2-yl-λ5-phosphane is CCCC(C)P(C)(O)(O)O.
What is the InChIKey of trihydroxy-methyl-pentan-2-yl-λ5-phosphane?
The InChIKey is UYNOIWBGMWEQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17O3P/c1-4-5-6(2)10(3,7,8)9/h6-9H,4-5H2,1-3H3.
What are the key properties of trihydroxy-methyl-pentan-2-yl-λ5-phosphane?
trihydroxy-methyl-pentan-2-yl-λ5-phosphane has a molecular weight of 168.17 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-methyl-pentan-2-yl-λ5-phosphane is sourced from PubChem (CID 126613780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).