(3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide

C18H32IP — CID 173157860

IUPAC(3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide
SMILESCCCCCCCC(Cc1ccccc1)C(C)(C)P.I
InChIInChI=1S/C18H31P.HI/c1-4-5-6-7-11-14-17(18(2,3)19)15-16-12-9-8-10-13-16;/h8-10,12-13,17H,4-7,11,14-15,19H2,1-3H3;1H
InChIKeyMOMLBVXDMXWTIL-UHFFFAOYSA-N
MW406.33 g/mol
LogP6.48
Rot. Bonds9

About (3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide

(3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide (PubChem CID 173157860) has the molecular formula C18H32IP and a molecular weight of 406.33 g/mol. Its IUPAC name is (3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide.

Molecular Properties

Compound Name(3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide
PubChem CID173157860
Molecular FormulaC18H32IP
Molecular Weight406.33 g/mol
Exact Mass406.13
IUPAC Name(3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide
SMILESCCCCCCCC(Cc1ccccc1)C(C)(C)P.I
InChIInChI=1S/C18H31P.HI/c1-4-5-6-7-11-14-17(18(2,3)19)15-16-12-9-8-10-13-16;/h8-10,12-13,17H,4-7,11,14-15,19H2,1-3H3;1H
InChIKeyMOMLBVXDMXWTIL-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.33
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 159602432
2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide?
The IUPAC name of (3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide (CID 173157860) is (3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide.
What is the SMILES notation for (3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide?
The canonical SMILES for (3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide is CCCCCCCC(Cc1ccccc1)C(C)(C)P.I.
What is the InChIKey of (3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide?
The InChIKey is MOMLBVXDMXWTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31P.HI/c1-4-5-6-7-11-14-17(18(2,3)19)15-16-12-9-8-10-13-16;/h8-10,12-13,17H,4-7,11,14-15,19H2,1-3H3;1H.
What are the key properties of (3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide?
(3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide has a molecular weight of 406.33 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide is sourced from PubChem (CID 173157860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).