3-methylheptan-3-yl(2,4,4-trimethylpentyl)phosphane

C16H35P — CID 87632108

IUPAC3-methylheptan-3-yl(2,4,4-trimethylpentyl)phosphane
SMILESCCCCC(C)(CC)PCC(C)CC(C)(C)C
InChIInChI=1S/C16H35P/c1-8-10-11-16(7,9-2)17-13-14(3)12-15(4,5)6/h14,17H,8-13H2,1-7H3
InChIKeyRGHZZHRIIPYHHA-UHFFFAOYSA-N
MW258.43 g/mol
LogP6.10
Rot. Bonds8

About 3-methylheptan-3-yl(2,4,4-trimethylpentyl)phosphane

3-methylheptan-3-yl(2,4,4-trimethylpentyl)phosphane (PubChem CID 87632108) has the molecular formula C16H35P and a molecular weight of 258.43 g/mol. Its IUPAC name is 3-methylheptan-3-yl(2,4,4-trimethylpentyl)phosphane.

Molecular Properties

Compound Name3-methylheptan-3-yl(2,4,4-trimethylpentyl)phosphane
PubChem CID87632108
Molecular FormulaC16H35P
Molecular Weight258.43 g/mol
Exact Mass258.25
IUPAC Name3-methylheptan-3-yl(2,4,4-trimethylpentyl)phosphane
SMILESCCCCC(C)(CC)PCC(C)CC(C)(C)C
InChIInChI=1S/C16H35P/c1-8-10-11-16(7,9-2)17-13-14(3)12-15(4,5)6/h14,17H,8-13H2,1-7H3
InChIKeyRGHZZHRIIPYHHA-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.43
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylheptan-3-yl(2,4,4-trimethylpentyl)phosphane?
The IUPAC name of 3-methylheptan-3-yl(2,4,4-trimethylpentyl)phosphane (CID 87632108) is 3-methylheptan-3-yl(2,4,4-trimethylpentyl)phosphane.
What is the SMILES notation for 3-methylheptan-3-yl(2,4,4-trimethylpentyl)phosphane?
The canonical SMILES for 3-methylheptan-3-yl(2,4,4-trimethylpentyl)phosphane is CCCCC(C)(CC)PCC(C)CC(C)(C)C.
What is the InChIKey of 3-methylheptan-3-yl(2,4,4-trimethylpentyl)phosphane?
The InChIKey is RGHZZHRIIPYHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35P/c1-8-10-11-16(7,9-2)17-13-14(3)12-15(4,5)6/h14,17H,8-13H2,1-7H3.
What are the key properties of 3-methylheptan-3-yl(2,4,4-trimethylpentyl)phosphane?
3-methylheptan-3-yl(2,4,4-trimethylpentyl)phosphane has a molecular weight of 258.43 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylheptan-3-yl(2,4,4-trimethylpentyl)phosphane is sourced from PubChem (CID 87632108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).