(3-tert-butyl-7,7-dimethyloctyl)phosphane

C14H31P — CID 146333821

IUPAC(3-tert-butyl-7,7-dimethyloctyl)phosphane
SMILESCC(C)(C)CCCC(CCP)C(C)(C)C
InChIInChI=1S/C14H31P/c1-13(2,3)10-7-8-12(9-11-15)14(4,5)6/h12H,7-11,15H2,1-6H3
InChIKeyRWWFCAUBJPQWAP-UHFFFAOYSA-N
MW230.38 g/mol
LogP5.13
Rot. Bonds5

About (3-tert-butyl-7,7-dimethyloctyl)phosphane

(3-tert-butyl-7,7-dimethyloctyl)phosphane (PubChem CID 146333821) has the molecular formula C14H31P and a molecular weight of 230.38 g/mol. Its IUPAC name is (3-tert-butyl-7,7-dimethyloctyl)phosphane.

Molecular Properties

Compound Name(3-tert-butyl-7,7-dimethyloctyl)phosphane
PubChem CID146333821
Molecular FormulaC14H31P
Molecular Weight230.38 g/mol
Exact Mass230.22
IUPAC Name(3-tert-butyl-7,7-dimethyloctyl)phosphane
SMILESCC(C)(C)CCCC(CCP)C(C)(C)C
InChIInChI=1S/C14H31P/c1-13(2,3)10-7-8-12(9-11-15)14(4,5)6/h12H,7-11,15H2,1-6H3
InChIKeyRWWFCAUBJPQWAP-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.38
LogP ≤ 55.13
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-tert-butyl-7,7-dimethyloctyl)phosphane?
The IUPAC name of (3-tert-butyl-7,7-dimethyloctyl)phosphane (CID 146333821) is (3-tert-butyl-7,7-dimethyloctyl)phosphane.
What is the SMILES notation for (3-tert-butyl-7,7-dimethyloctyl)phosphane?
The canonical SMILES for (3-tert-butyl-7,7-dimethyloctyl)phosphane is CC(C)(C)CCCC(CCP)C(C)(C)C.
What is the InChIKey of (3-tert-butyl-7,7-dimethyloctyl)phosphane?
The InChIKey is RWWFCAUBJPQWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31P/c1-13(2,3)10-7-8-12(9-11-15)14(4,5)6/h12H,7-11,15H2,1-6H3.
What are the key properties of (3-tert-butyl-7,7-dimethyloctyl)phosphane?
(3-tert-butyl-7,7-dimethyloctyl)phosphane has a molecular weight of 230.38 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-7,7-dimethyloctyl)phosphane is sourced from PubChem (CID 146333821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).