benzyl-bis(2-methyl-1-propan-2-ylcyclohexyl)phosphane

C27H45P — CID 71440292

IUPACbenzyl-bis(2-methyl-1-propan-2-ylcyclohexyl)phosphane
SMILESCC(C)C1(P(Cc2ccccc2)C2(C(C)C)CCCCC2C)CCCCC1C
InChIInChI=1S/C27H45P/c1-21(2)26(18-12-10-14-23(26)5)28(20-25-16-8-7-9-17-25)27(22(3)4)19-13-11-15-24(27)6/h7-9,16-17,21-24H,10-15,18-20H2,1-6H3
InChIKeyMXMVKDBLUYKXRZ-UHFFFAOYSA-N
MW400.63 g/mol
LogP8.88
Rot. Bonds6

About benzyl-bis(2-methyl-1-propan-2-ylcyclohexyl)phosphane

benzyl-bis(2-methyl-1-propan-2-ylcyclohexyl)phosphane (PubChem CID 71440292) has the molecular formula C27H45P and a molecular weight of 400.63 g/mol. Its IUPAC name is benzyl-bis(2-methyl-1-propan-2-ylcyclohexyl)phosphane.

Molecular Properties

Compound Namebenzyl-bis(2-methyl-1-propan-2-ylcyclohexyl)phosphane
PubChem CID71440292
Molecular FormulaC27H45P
Molecular Weight400.63 g/mol
Exact Mass400.33
IUPAC Namebenzyl-bis(2-methyl-1-propan-2-ylcyclohexyl)phosphane
SMILESCC(C)C1(P(Cc2ccccc2)C2(C(C)C)CCCCC2C)CCCCC1C
InChIInChI=1S/C27H45P/c1-21(2)26(18-12-10-14-23(26)5)28(20-25-16-8-7-9-17-25)27(22(3)4)19-13-11-15-24(27)6/h7-9,16-17,21-24H,10-15,18-20H2,1-6H3
InChIKeyMXMVKDBLUYKXRZ-UHFFFAOYSA-N
XLogP8.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.63
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl(1-dibenzylphosphanylethyl)phosphane
CID 21296881
2-cyclohexylpropylbenzene
CID 15846297
(R)-benzyl-cyclohexyl-methylphosphane
CID 15419907
benzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane
CID 141415068
ethylbenzene;methylcyclobutane
CID 176989756
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
(1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine
CID 156552487
dibenzyl-[2-(2-methylcyclopentyl)-1-phenylethyl]phosphane
CID 143914633
1-(benzylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 16788652
N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine
CID 66431979
methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane
CID 53438913
3,3-dicyclohexylpropylbenzene
CID 86671113

Frequently Asked Questions

What is the IUPAC name of benzyl-bis(2-methyl-1-propan-2-ylcyclohexyl)phosphane?
The IUPAC name of benzyl-bis(2-methyl-1-propan-2-ylcyclohexyl)phosphane (CID 71440292) is benzyl-bis(2-methyl-1-propan-2-ylcyclohexyl)phosphane.
What is the SMILES notation for benzyl-bis(2-methyl-1-propan-2-ylcyclohexyl)phosphane?
The canonical SMILES for benzyl-bis(2-methyl-1-propan-2-ylcyclohexyl)phosphane is CC(C)C1(P(Cc2ccccc2)C2(C(C)C)CCCCC2C)CCCCC1C.
What is the InChIKey of benzyl-bis(2-methyl-1-propan-2-ylcyclohexyl)phosphane?
The InChIKey is MXMVKDBLUYKXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45P/c1-21(2)26(18-12-10-14-23(26)5)28(20-25-16-8-7-9-17-25)27(22(3)4)19-13-11-15-24(27)6/h7-9,16-17,21-24H,10-15,18-20H2,1-6H3.
What are the key properties of benzyl-bis(2-methyl-1-propan-2-ylcyclohexyl)phosphane?
benzyl-bis(2-methyl-1-propan-2-ylcyclohexyl)phosphane has a molecular weight of 400.63 g/mol, XLogP of 8.88, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-bis(2-methyl-1-propan-2-ylcyclohexyl)phosphane is sourced from PubChem (CID 71440292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).