cyclohex-2-en-1-yl-(4-methylphenyl)phosphane

C13H17P — CID 70861155

IUPACcyclohex-2-en-1-yl-(4-methylphenyl)phosphane
SMILESCc1ccc(PC2C=CCCC2)cc1
InChIInChI=1S/C13H17P/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h3,5,7-10,12,14H,2,4,6H2,1H3
InChIKeyVXYKHRMBYBSDJI-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.41
Rot. Bonds2

About cyclohex-2-en-1-yl-(4-methylphenyl)phosphane

cyclohex-2-en-1-yl-(4-methylphenyl)phosphane (PubChem CID 70861155) has the molecular formula C13H17P and a molecular weight of 204.25 g/mol. Its IUPAC name is cyclohex-2-en-1-yl-(4-methylphenyl)phosphane.

Molecular Properties

Compound Namecyclohex-2-en-1-yl-(4-methylphenyl)phosphane
PubChem CID70861155
Molecular FormulaC13H17P
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Namecyclohex-2-en-1-yl-(4-methylphenyl)phosphane
SMILESCc1ccc(PC2C=CCCC2)cc1
InChIInChI=1S/C13H17P/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h3,5,7-10,12,14H,2,4,6H2,1H3
InChIKeyVXYKHRMBYBSDJI-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.41
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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Related Compounds

cyclohexyl-(4-methylphenyl)phosphane
CID 21096698
N-[(1S)-cyclohex-2-en-1-yl]-4-methylaniline
CID 101110107
[(1S)-cyclohex-2-en-1-yl] 4-methylbenzenesulfonate
CID 101100496
N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 71084250
bis(4-methylphenyl)phosphane;hydrofluoride
CID 175567589
cyclohept-2-en-1-yl-(4-methylphenyl)methanol
CID 2754969
benzene;bis(4-methylphenyl)phosphane
CID 159425906
4-cyclohex-2-en-1-ylphenol
CID 13414842
propan-2-ylcyclobutane;1,4-xylene
CID 161065038
(3aR,8aS)-3-(4-methylphenyl)sulfonyl-6,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]oxazol-2-one
CID 101064112
5-[(1R)-cyclohex-2-en-1-yl]-2-methylpyridine
CID 94035148
1-[(1S)-cyclohex-2-en-1-yl]-3-[(4-methylphenyl)carbamothioylamino]thiourea
CID 7283752

Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-yl-(4-methylphenyl)phosphane?
The IUPAC name of cyclohex-2-en-1-yl-(4-methylphenyl)phosphane (CID 70861155) is cyclohex-2-en-1-yl-(4-methylphenyl)phosphane.
What is the SMILES notation for cyclohex-2-en-1-yl-(4-methylphenyl)phosphane?
The canonical SMILES for cyclohex-2-en-1-yl-(4-methylphenyl)phosphane is Cc1ccc(PC2C=CCCC2)cc1.
What is the InChIKey of cyclohex-2-en-1-yl-(4-methylphenyl)phosphane?
The InChIKey is VXYKHRMBYBSDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17P/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h3,5,7-10,12,14H,2,4,6H2,1H3.
What are the key properties of cyclohex-2-en-1-yl-(4-methylphenyl)phosphane?
cyclohex-2-en-1-yl-(4-methylphenyl)phosphane has a molecular weight of 204.25 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl-(4-methylphenyl)phosphane is sourced from PubChem (CID 70861155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).