3,4-diethylheptan-3-ylphosphane;hydrobromide

C11H26BrP — CID 173000977

IUPAC3,4-diethylheptan-3-ylphosphane;hydrobromide
SMILESBr.CCCC(CC)C(P)(CC)CC
InChIInChI=1S/C11H25P.BrH/c1-5-9-10(6-2)11(12,7-3)8-4;/h10H,5-9,12H2,1-4H3;1H
InChIKeyMGGVVSOLOBTEIE-UHFFFAOYSA-N
MW269.21 g/mol
LogP4.82
Rot. Bonds6

About 3,4-diethylheptan-3-ylphosphane;hydrobromide

3,4-diethylheptan-3-ylphosphane;hydrobromide (PubChem CID 173000977) has the molecular formula C11H26BrP and a molecular weight of 269.21 g/mol. Its IUPAC name is 3,4-diethylheptan-3-ylphosphane;hydrobromide.

Molecular Properties

Compound Name3,4-diethylheptan-3-ylphosphane;hydrobromide
PubChem CID173000977
Molecular FormulaC11H26BrP
Molecular Weight269.21 g/mol
Exact Mass268.10
IUPAC Name3,4-diethylheptan-3-ylphosphane;hydrobromide
SMILESBr.CCCC(CC)C(P)(CC)CC
InChIInChI=1S/C11H25P.BrH/c1-5-9-10(6-2)11(12,7-3)8-4;/h10H,5-9,12H2,1-4H3;1H
InChIKeyMGGVVSOLOBTEIE-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,4-diethylicosan-3-ylphosphane;hydrobromide
CID 173024292
(5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide
CID 173445648
3,4-diethyltridecan-3-ylphosphane;hydroiodide
CID 173158517
3,4-diethyldecan-3-ylphosphane;methanesulfonic acid
CID 173110597
4-ethylheptane-3,3-diamine
CID 87457758
(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide
CID 173157813
(4-ethyl-3-phosphanyloctan-3-yl)phosphane
CID 174710996
(5-butyl-6-ethyldodecan-5-yl)phosphane
CID 87508969
3-ethyl-2,2-difluorohexane
CID 155700319
(3-chloro-4-ethylhexan-3-yl)phosphane
CID 175161626
(5-butyl-6-propylnonadecan-5-yl)phosphane
CID 22597089
[3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane
CID 90111416

Frequently Asked Questions

What is the IUPAC name of 3,4-diethylheptan-3-ylphosphane;hydrobromide?
The IUPAC name of 3,4-diethylheptan-3-ylphosphane;hydrobromide (CID 173000977) is 3,4-diethylheptan-3-ylphosphane;hydrobromide.
What is the SMILES notation for 3,4-diethylheptan-3-ylphosphane;hydrobromide?
The canonical SMILES for 3,4-diethylheptan-3-ylphosphane;hydrobromide is Br.CCCC(CC)C(P)(CC)CC.
What is the InChIKey of 3,4-diethylheptan-3-ylphosphane;hydrobromide?
The InChIKey is MGGVVSOLOBTEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25P.BrH/c1-5-9-10(6-2)11(12,7-3)8-4;/h10H,5-9,12H2,1-4H3;1H.
What are the key properties of 3,4-diethylheptan-3-ylphosphane;hydrobromide?
3,4-diethylheptan-3-ylphosphane;hydrobromide has a molecular weight of 269.21 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylheptan-3-ylphosphane;hydrobromide is sourced from PubChem (CID 173000977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).