butan-2-yl-trihydroxy-propyl-λ5-phosphane

C7H19O3P — CID 87283042

IUPACbutan-2-yl-trihydroxy-propyl-λ5-phosphane
SMILESCCCP(O)(O)(O)C(C)CC
InChIInChI=1S/C7H19O3P/c1-4-6-11(8,9,10)7(3)5-2/h7-10H,4-6H2,1-3H3
InChIKeyBHBFONDQGUWFAY-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.47
Rot. Bonds4

About butan-2-yl-trihydroxy-propyl-λ5-phosphane

butan-2-yl-trihydroxy-propyl-λ5-phosphane (PubChem CID 87283042) has the molecular formula C7H19O3P and a molecular weight of 182.20 g/mol. Its IUPAC name is butan-2-yl-trihydroxy-propyl-λ5-phosphane.

Molecular Properties

Compound Namebutan-2-yl-trihydroxy-propyl-λ5-phosphane
PubChem CID87283042
Molecular FormulaC7H19O3P
Molecular Weight182.20 g/mol
Exact Mass182.11
IUPAC Namebutan-2-yl-trihydroxy-propyl-λ5-phosphane
SMILESCCCP(O)(O)(O)C(C)CC
InChIInChI=1S/C7H19O3P/c1-4-6-11(8,9,10)7(3)5-2/h7-10H,4-6H2,1-3H3
InChIKeyBHBFONDQGUWFAY-UHFFFAOYSA-N
XLogP1.47
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.47
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

trihydroxy-methyl-pentan-2-yl-λ5-phosphane
CID 126613780
hydroxy-trimethyl-propyl-λ5-phosphane
CID 140644824
bis(but-2-yne);ethane;2-methylbutane
CID 144516003
1-hydroxypropyl(trimethyl)phosphanium
CID 175448863
butane;ethane;methanol;2-methylbutane
CID 170758487
(2S,3R)-3-methylpentan-2-ol
CID 6993006
[(2S)-butan-2-yl]arsane
CID 173469724
(4R)-4-methylheptan-3-ol
CID 12799251
2-methylbutane;bis(2-methylbut-2-ene)
CID 162288148
butan-2-ol;pentane
CID 87560104
butan-2-ol;but-2-ene
CID 157060914
2-methylbutane
CID 158117812

Frequently Asked Questions

What is the IUPAC name of butan-2-yl-trihydroxy-propyl-λ5-phosphane?
The IUPAC name of butan-2-yl-trihydroxy-propyl-λ5-phosphane (CID 87283042) is butan-2-yl-trihydroxy-propyl-λ5-phosphane.
What is the SMILES notation for butan-2-yl-trihydroxy-propyl-λ5-phosphane?
The canonical SMILES for butan-2-yl-trihydroxy-propyl-λ5-phosphane is CCCP(O)(O)(O)C(C)CC.
What is the InChIKey of butan-2-yl-trihydroxy-propyl-λ5-phosphane?
The InChIKey is BHBFONDQGUWFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19O3P/c1-4-6-11(8,9,10)7(3)5-2/h7-10H,4-6H2,1-3H3.
What are the key properties of butan-2-yl-trihydroxy-propyl-λ5-phosphane?
butan-2-yl-trihydroxy-propyl-λ5-phosphane has a molecular weight of 182.20 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-trihydroxy-propyl-λ5-phosphane is sourced from PubChem (CID 87283042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).