(5-methyl-2-propan-2-ylcyclohexyl)-di(propan-2-yl)phosphane

C16H33P — CID 13462055

IUPAC(5-methyl-2-propan-2-ylcyclohexyl)-di(propan-2-yl)phosphane
SMILESCC1CCC(C(C)C)C(P(C(C)C)C(C)C)C1
InChIInChI=1S/C16H33P/c1-11(2)15-9-8-14(7)10-16(15)17(12(3)4)13(5)6/h11-16H,8-10H2,1-7H3
InChIKeyIWRRUMYPANGWNL-UHFFFAOYSA-N
MW256.41 g/mol
LogP5.75
Rot. Bonds4

About (5-methyl-2-propan-2-ylcyclohexyl)-di(propan-2-yl)phosphane

(5-methyl-2-propan-2-ylcyclohexyl)-di(propan-2-yl)phosphane (PubChem CID 13462055) has the molecular formula C16H33P and a molecular weight of 256.41 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl)-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl)-di(propan-2-yl)phosphane
PubChem CID13462055
Molecular FormulaC16H33P
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl)-di(propan-2-yl)phosphane
SMILESCC1CCC(C(C)C)C(P(C(C)C)C(C)C)C1
InChIInChI=1S/C16H33P/c1-11(2)15-9-8-14(7)10-16(15)17(12(3)4)13(5)6/h11-16H,8-10H2,1-7H3
InChIKeyIWRRUMYPANGWNL-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.41
LogP ≤ 55.75
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 (5-methyl-2-propan-2-ylcyclohexyl)-di(propan-2-yl)phosphane?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)-di(propan-2-yl)phosphane (CID 13462055) is (5-methyl-2-propan-2-ylcyclohexyl)-di(propan-2-yl)phosphane.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl)-di(propan-2-yl)phosphane?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl)-di(propan-2-yl)phosphane is CC1CCC(C(C)C)C(P(C(C)C)C(C)C)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl)-di(propan-2-yl)phosphane?
The InChIKey is IWRRUMYPANGWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33P/c1-11(2)15-9-8-14(7)10-16(15)17(12(3)4)13(5)6/h11-16H,8-10H2,1-7H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl)-di(propan-2-yl)phosphane?
(5-methyl-2-propan-2-ylcyclohexyl)-di(propan-2-yl)phosphane has a molecular weight of 256.41 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl)-di(propan-2-yl)phosphane is sourced from PubChem (CID 13462055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).