heptane;phosphane;trihydrochloride

C7H22Cl3P — CID 175501735

IUPACheptane;phosphane;trihydrochloride
SMILESCCCCCCC.Cl.Cl.Cl.P
InChIInChI=1S/C7H16.3ClH.H3P/c1-3-5-7-6-4-2;;;;/h3-7H2,1-2H3;3*1H;1H3
InChIKeyUHTQBORPHGLWKW-UHFFFAOYSA-N
MW243.59 g/mol
LogP4.30
Rot. Bonds4

About heptane;phosphane;trihydrochloride

heptane;phosphane;trihydrochloride (PubChem CID 175501735) has the molecular formula C7H22Cl3P and a molecular weight of 243.59 g/mol. Its IUPAC name is heptane;phosphane;trihydrochloride.

Molecular Properties

Compound Nameheptane;phosphane;trihydrochloride
PubChem CID175501735
Molecular FormulaC7H22Cl3P
Molecular Weight243.59 g/mol
Exact Mass242.05
IUPAC Nameheptane;phosphane;trihydrochloride
SMILESCCCCCCC.Cl.Cl.Cl.P
InChIInChI=1S/C7H16.3ClH.H3P/c1-3-5-7-6-4-2;;;;/h3-7H2,1-2H3;3*1H;1H3
InChIKeyUHTQBORPHGLWKW-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.59
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dodecane;phosphane;dihydrochloride
CID 173449681
icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
hexane;phosphane;dihydrochloride
CID 173449744
nonadecane;hydrochloride
CID 172821128
pentacosane;hydrochloride
CID 172714496
methane;octane;dihydrochloride
CID 174397937
azane;tritriacontane;hydrochloride
CID 174841743
heptane;silane;trihydrochloride
CID 173470147
bis(octane);silane;dihydrochloride
CID 173470119
icosane;phosphane;hydrobromide
CID 172836983
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250

Frequently Asked Questions

What is the IUPAC name of heptane;phosphane;trihydrochloride?
The IUPAC name of heptane;phosphane;trihydrochloride (CID 175501735) is heptane;phosphane;trihydrochloride.
What is the SMILES notation for heptane;phosphane;trihydrochloride?
The canonical SMILES for heptane;phosphane;trihydrochloride is CCCCCCC.Cl.Cl.Cl.P.
What is the InChIKey of heptane;phosphane;trihydrochloride?
The InChIKey is UHTQBORPHGLWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.3ClH.H3P/c1-3-5-7-6-4-2;;;;/h3-7H2,1-2H3;3*1H;1H3.
What are the key properties of heptane;phosphane;trihydrochloride?
heptane;phosphane;trihydrochloride has a molecular weight of 243.59 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;phosphane;trihydrochloride is sourced from PubChem (CID 175501735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).