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

C16H33OP — CID 584302

IUPAC(5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane
SMILESCC1CCC(C(C)C)C(OP(C(C)C)C(C)C)C1
InChIInChI=1S/C16H33OP/c1-11(2)15-9-8-14(7)10-16(15)17-18(12(3)4)13(5)6/h11-16H,8-10H2,1-7H3
InChIKeyQXBUENDJWFDEJF-UHFFFAOYSA-N
MW272.41 g/mol
LogP5.68
Rot. Bonds5

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

(5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane (PubChem CID 584302) has the molecular formula C16H33OP and a molecular weight of 272.41 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane
PubChem CID584302
Molecular FormulaC16H33OP
Molecular Weight272.41 g/mol
Exact Mass272.23
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane
SMILESCC1CCC(C(C)C)C(OP(C(C)C)C(C)C)C1
InChIInChI=1S/C16H33OP/c1-11(2)15-9-8-14(7)10-16(15)17-18(12(3)4)13(5)6/h11-16H,8-10H2,1-7H3
InChIKeyQXBUENDJWFDEJF-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.41
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
N-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine
CID 14310529
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
(1R,2S,4S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 70687940
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane
CID 101270451
trimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxysilane
CID 11138915
trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
CID 137488514
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane (CID 584302) is (5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane is CC1CCC(C(C)C)C(OP(C(C)C)C(C)C)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane?
The InChIKey is QXBUENDJWFDEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33OP/c1-11(2)15-9-8-14(7)10-16(15)17-18(12(3)4)13(5)6/h11-16H,8-10H2,1-7H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane?
(5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane has a molecular weight of 272.41 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane is sourced from PubChem (CID 584302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).