1-iodooctane;phosphane

C8H20IP — CID 88789975

IUPAC1-iodooctane;phosphane
SMILESCCCCCCCCI.P
InChIInChI=1S/C8H17I.H3P/c1-2-3-4-5-6-7-8-9;/h2-8H2,1H3;1H3
InChIKeyQTZKCIGBCQVOSP-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.84
Rot. Bonds6

About 1-iodooctane;phosphane

1-iodooctane;phosphane (PubChem CID 88789975) has the molecular formula C8H20IP and a molecular weight of 274.13 g/mol. Its IUPAC name is 1-iodooctane;phosphane.

Molecular Properties

Compound Name1-iodooctane;phosphane
PubChem CID88789975
Molecular FormulaC8H20IP
Molecular Weight274.13 g/mol
Exact Mass274.03
IUPAC Name1-iodooctane;phosphane
SMILESCCCCCCCCI.P
InChIInChI=1S/C8H17I.H3P/c1-2-3-4-5-6-7-8-9;/h2-8H2,1H3;1H3
InChIKeyQTZKCIGBCQVOSP-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-iodotetradecane;phosphane
CID 88696051
CID 175765895
CID 175765895
magnesium;hydride;1-iodooctane
CID 173319827
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CID 173047553
1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane
CID 159910263
7-(4-iodobutyl)tridecane
CID 155905887
N-(4-iodobutyl)octan-1-amine
CID 106844597
15-iodopentadec-7-yne
CID 10496912
1-iodooctadec-9-ene
CID 54335448
(E)-1-iodoheptadec-8-ene
CID 118861241
heptane;phosphane;trihydrochloride
CID 175501735
icosane;phosphane;hydrobromide
CID 172836983

Frequently Asked Questions

What is the IUPAC name of 1-iodooctane;phosphane?
The IUPAC name of 1-iodooctane;phosphane (CID 88789975) is 1-iodooctane;phosphane.
What is the SMILES notation for 1-iodooctane;phosphane?
The canonical SMILES for 1-iodooctane;phosphane is CCCCCCCCI.P.
What is the InChIKey of 1-iodooctane;phosphane?
The InChIKey is QTZKCIGBCQVOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17I.H3P/c1-2-3-4-5-6-7-8-9;/h2-8H2,1H3;1H3.
What are the key properties of 1-iodooctane;phosphane?
1-iodooctane;phosphane has a molecular weight of 274.13 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodooctane;phosphane is sourced from PubChem (CID 88789975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).