(2,2,4,5,5,6,6,7-octamethyl-8-methylidenedecan-3-yl)phosphane

C19H39P — CID 134604877

IUPAC(2,2,4,5,5,6,6,7-octamethyl-8-methylidenedecan-3-yl)phosphane
SMILESC=C(CC)C(C)C(C)(C)C(C)(C)C(C)C(P)C(C)(C)C
InChIInChI=1S/C19H39P/c1-12-13(2)14(3)18(8,9)19(10,11)15(4)16(20)17(5,6)7/h14-16H,2,12,20H2,1,3-11H3
InChIKeyIRFICOVNVGSEBI-UHFFFAOYSA-N
MW298.50 g/mol
LogP6.57
Rot. Bonds6

About (2,2,4,5,5,6,6,7-octamethyl-8-methylidenedecan-3-yl)phosphane

(2,2,4,5,5,6,6,7-octamethyl-8-methylidenedecan-3-yl)phosphane (PubChem CID 134604877) has the molecular formula C19H39P and a molecular weight of 298.50 g/mol. Its IUPAC name is (2,2,4,5,5,6,6,7-octamethyl-8-methylidenedecan-3-yl)phosphane.

Molecular Properties

Compound Name(2,2,4,5,5,6,6,7-octamethyl-8-methylidenedecan-3-yl)phosphane
PubChem CID134604877
Molecular FormulaC19H39P
Molecular Weight298.50 g/mol
Exact Mass298.28
IUPAC Name(2,2,4,5,5,6,6,7-octamethyl-8-methylidenedecan-3-yl)phosphane
SMILESC=C(CC)C(C)C(C)(C)C(C)(C)C(C)C(P)C(C)(C)C
InChIInChI=1S/C19H39P/c1-12-13(2)14(3)18(8,9)19(10,11)15(4)16(20)17(5,6)7/h14-16H,2,12,20H2,1,3-11H3
InChIKeyIRFICOVNVGSEBI-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.50
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2,4,5,5,6,6,7-octamethyl-8-methylidenedecan-3-yl)phosphane?
The IUPAC name of (2,2,4,5,5,6,6,7-octamethyl-8-methylidenedecan-3-yl)phosphane (CID 134604877) is (2,2,4,5,5,6,6,7-octamethyl-8-methylidenedecan-3-yl)phosphane.
What is the SMILES notation for (2,2,4,5,5,6,6,7-octamethyl-8-methylidenedecan-3-yl)phosphane?
The canonical SMILES for (2,2,4,5,5,6,6,7-octamethyl-8-methylidenedecan-3-yl)phosphane is C=C(CC)C(C)C(C)(C)C(C)(C)C(C)C(P)C(C)(C)C.
What is the InChIKey of (2,2,4,5,5,6,6,7-octamethyl-8-methylidenedecan-3-yl)phosphane?
The InChIKey is IRFICOVNVGSEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39P/c1-12-13(2)14(3)18(8,9)19(10,11)15(4)16(20)17(5,6)7/h14-16H,2,12,20H2,1,3-11H3.
What are the key properties of (2,2,4,5,5,6,6,7-octamethyl-8-methylidenedecan-3-yl)phosphane?
(2,2,4,5,5,6,6,7-octamethyl-8-methylidenedecan-3-yl)phosphane has a molecular weight of 298.50 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,4,5,5,6,6,7-octamethyl-8-methylidenedecan-3-yl)phosphane is sourced from PubChem (CID 134604877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).