benzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane

C18H29P — CID 562813

IUPACbenzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane
SMILESCC1CCC(C(C)C)C(P(C)Cc2ccccc2)C1
InChIInChI=1S/C18H29P/c1-14(2)17-11-10-15(3)12-18(17)19(4)13-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3
InChIKeyUKGIRVDZCYHXEP-UHFFFAOYSA-N
MW276.40 g/mol
LogP5.76
Rot. Bonds4

About benzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane

benzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane (PubChem CID 562813) has the molecular formula C18H29P and a molecular weight of 276.40 g/mol. Its IUPAC name is benzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane.

Molecular Properties

Compound Namebenzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane
PubChem CID562813
Molecular FormulaC18H29P
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Namebenzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane
SMILESCC1CCC(C(C)C)C(P(C)Cc2ccccc2)C1
InChIInChI=1S/C18H29P/c1-14(2)17-11-10-15(3)12-18(17)19(4)13-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3
InChIKeyUKGIRVDZCYHXEP-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.40
LogP ≤ 55.76
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

[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 98053481
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 2734569
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfanylmethylbenzene
CID 100954560
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine
CID 82708859
[methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphoryl]methylbenzene
CID 626091
bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium
CID 88798842
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]methylbenzene
CID 102262705
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
dibenzyl(1-dibenzylphosphanylethyl)phosphane
CID 21296881
2-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanylbenzenesulfonic acid
CID 102219109
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
CID 91604695

Frequently Asked Questions

What is the IUPAC name of benzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane?
The IUPAC name of benzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane (CID 562813) is benzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane.
What is the SMILES notation for benzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane?
The canonical SMILES for benzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane is CC1CCC(C(C)C)C(P(C)Cc2ccccc2)C1.
What is the InChIKey of benzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane?
The InChIKey is UKGIRVDZCYHXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29P/c1-14(2)17-11-10-15(3)12-18(17)19(4)13-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3.
What are the key properties of benzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane?
benzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane has a molecular weight of 276.40 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane is sourced from PubChem (CID 562813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).