(3-chloro-4-ethylhexan-3-yl)phosphane

C8H18ClP — CID 175161626

IUPAC(3-chloro-4-ethylhexan-3-yl)phosphane
SMILESCCC(CC)C(P)(Cl)CC
InChIInChI=1S/C8H18ClP/c1-4-7(5-2)8(9,10)6-3/h7H,4-6,10H2,1-3H3
InChIKeyXZOBRCLLHDQXAB-UHFFFAOYSA-N
MW180.66 g/mol
LogP3.64
Rot. Bonds4

About (3-chloro-4-ethylhexan-3-yl)phosphane

(3-chloro-4-ethylhexan-3-yl)phosphane (PubChem CID 175161626) has the molecular formula C8H18ClP and a molecular weight of 180.66 g/mol. Its IUPAC name is (3-chloro-4-ethylhexan-3-yl)phosphane.

Molecular Properties

Compound Name(3-chloro-4-ethylhexan-3-yl)phosphane
PubChem CID175161626
Molecular FormulaC8H18ClP
Molecular Weight180.66 g/mol
Exact Mass180.08
IUPAC Name(3-chloro-4-ethylhexan-3-yl)phosphane
SMILESCCC(CC)C(P)(Cl)CC
InChIInChI=1S/C8H18ClP/c1-4-7(5-2)8(9,10)6-3/h7H,4-6,10H2,1-3H3
InChIKeyXZOBRCLLHDQXAB-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.66
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,4-diethylheptan-3-ylphosphane;hydrobromide
CID 173000977
(4-ethyl-3-phosphanyloctan-3-yl)phosphane
CID 174710996
3,4-diethylhexane-3-thiol
CID 89412081
[3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane
CID 90111416
3,4-diethylicosan-3-ylphosphane;hydrobromide
CID 173024292
3,4-diethyltridecan-3-ylphosphane;hydroiodide
CID 173158517
2-chloro-3-ethyl-2-methylheptane
CID 141208623
1,1,2,2-tetrachloroethane;1,1,1-trichloropropane
CID 18956861
3,5-diethyl-4,4-difluoroheptane
CID 137390783
1,1,1-trichloropropane;trihydrochloride
CID 175077591
trichloro(4-methylhexan-3-yl)silane
CID 22129062
(5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide
CID 173445648

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-ethylhexan-3-yl)phosphane?
The IUPAC name of (3-chloro-4-ethylhexan-3-yl)phosphane (CID 175161626) is (3-chloro-4-ethylhexan-3-yl)phosphane.
What is the SMILES notation for (3-chloro-4-ethylhexan-3-yl)phosphane?
The canonical SMILES for (3-chloro-4-ethylhexan-3-yl)phosphane is CCC(CC)C(P)(Cl)CC.
What is the InChIKey of (3-chloro-4-ethylhexan-3-yl)phosphane?
The InChIKey is XZOBRCLLHDQXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClP/c1-4-7(5-2)8(9,10)6-3/h7H,4-6,10H2,1-3H3.
What are the key properties of (3-chloro-4-ethylhexan-3-yl)phosphane?
(3-chloro-4-ethylhexan-3-yl)phosphane has a molecular weight of 180.66 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-ethylhexan-3-yl)phosphane is sourced from PubChem (CID 175161626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).