3-methylbutoxyphosphane;hydrobromide

C5H14BrOP — CID 175546648

IUPAC3-methylbutoxyphosphane;hydrobromide
SMILESBr.CC(C)CCOP
InChIInChI=1S/C5H13OP.BrH/c1-5(2)3-4-6-7;/h5H,3-4,7H2,1-2H3;1H
InChIKeyDLKKASXRZGDDEP-UHFFFAOYSA-N
MW201.04 g/mol
LogP2.42
Rot. Bonds3

About 3-methylbutoxyphosphane;hydrobromide

3-methylbutoxyphosphane;hydrobromide (PubChem CID 175546648) has the molecular formula C5H14BrOP and a molecular weight of 201.04 g/mol. Its IUPAC name is 3-methylbutoxyphosphane;hydrobromide.

Molecular Properties

Compound Name3-methylbutoxyphosphane;hydrobromide
PubChem CID175546648
Molecular FormulaC5H14BrOP
Molecular Weight201.04 g/mol
Exact Mass200.00
IUPAC Name3-methylbutoxyphosphane;hydrobromide
SMILESBr.CC(C)CCOP
InChIInChI=1S/C5H13OP.BrH/c1-5(2)3-4-6-7;/h5H,3-4,7H2,1-2H3;1H
InChIKeyDLKKASXRZGDDEP-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.04
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
CID 148792664
CID 148792664
3-methylbutyl hypobromite
CID 141146646
3-methylbutoxygallane
CID 174485666
ethane;1-methoxy-3-methylbutane
CID 144580604
3-methylbutoxysilane
CID 123427672
O-(3-methylbutyl)hydroxylamine chloride
CID 21205587
3-methylbutoxymethanediol
CID 54490534
azane;O-(3-methylbutyl)hydroxylamine;dihydrochloride
CID 173322149
3-methylbutoxymethylcyclopropane
CID 58970607

Frequently Asked Questions

What is the IUPAC name of 3-methylbutoxyphosphane;hydrobromide?
The IUPAC name of 3-methylbutoxyphosphane;hydrobromide (CID 175546648) is 3-methylbutoxyphosphane;hydrobromide.
What is the SMILES notation for 3-methylbutoxyphosphane;hydrobromide?
The canonical SMILES for 3-methylbutoxyphosphane;hydrobromide is Br.CC(C)CCOP.
What is the InChIKey of 3-methylbutoxyphosphane;hydrobromide?
The InChIKey is DLKKASXRZGDDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13OP.BrH/c1-5(2)3-4-6-7;/h5H,3-4,7H2,1-2H3;1H.
What are the key properties of 3-methylbutoxyphosphane;hydrobromide?
3-methylbutoxyphosphane;hydrobromide has a molecular weight of 201.04 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutoxyphosphane;hydrobromide is sourced from PubChem (CID 175546648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).