1-tert-butyl-4-cyclohexyl-4-methoxyphosphinine

C16H27OP — CID 12722716

IUPAC1-tert-butyl-4-cyclohexyl-4-methoxyphosphinine
SMILESCOC1(C2CCCCC2)C=CP(C(C)(C)C)C=C1
InChIInChI=1S/C16H27OP/c1-15(2,3)18-12-10-16(17-4,11-13-18)14-8-6-5-7-9-14/h10-14H,5-9H2,1-4H3
InChIKeyFYLVQEYPGMQTFP-UHFFFAOYSA-N
MW266.37 g/mol
LogP5.27
Rot. Bonds2

About 1-tert-butyl-4-cyclohexyl-4-methoxyphosphinine

1-tert-butyl-4-cyclohexyl-4-methoxyphosphinine (PubChem CID 12722716) has the molecular formula C16H27OP and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-tert-butyl-4-cyclohexyl-4-methoxyphosphinine.

Molecular Properties

Compound Name1-tert-butyl-4-cyclohexyl-4-methoxyphosphinine
PubChem CID12722716
Molecular FormulaC16H27OP
Molecular Weight266.37 g/mol
Exact Mass266.18
IUPAC Name1-tert-butyl-4-cyclohexyl-4-methoxyphosphinine
SMILESCOC1(C2CCCCC2)C=CP(C(C)(C)C)C=C1
InChIInChI=1S/C16H27OP/c1-15(2,3)18-12-10-16(17-4,11-13-18)14-8-6-5-7-9-14/h10-14H,5-9H2,1-4H3
InChIKeyFYLVQEYPGMQTFP-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.37
LogP ≤ 55.27
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

1,1-Dibutyl-4-cyclohexyl-4-methoxystannine
CID 12506193
Dilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane
CID 12506200
1-Butoxy-4-cyclohexyl-4-methoxyphosphinine
CID 12696902
4-cyclohexyl-4-methoxy-1H-phosphinine
CID 134892330
(4,4-Dicyclohexyl-4-methoxybut-2-enyl)phosphane
CID 118536184
3-Ethenyl-3-methoxy-4-methyldodec-1-ene
CID 157903642
3-Methoxypenta-1,4-dien-3-ylcyclohexane
CID 12506201

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-cyclohexyl-4-methoxyphosphinine?
The IUPAC name of 1-tert-butyl-4-cyclohexyl-4-methoxyphosphinine (CID 12722716) is 1-tert-butyl-4-cyclohexyl-4-methoxyphosphinine.
What is the SMILES notation for 1-tert-butyl-4-cyclohexyl-4-methoxyphosphinine?
The canonical SMILES for 1-tert-butyl-4-cyclohexyl-4-methoxyphosphinine is COC1(C2CCCCC2)C=CP(C(C)(C)C)C=C1.
What is the InChIKey of 1-tert-butyl-4-cyclohexyl-4-methoxyphosphinine?
The InChIKey is FYLVQEYPGMQTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27OP/c1-15(2,3)18-12-10-16(17-4,11-13-18)14-8-6-5-7-9-14/h10-14H,5-9H2,1-4H3.
What are the key properties of 1-tert-butyl-4-cyclohexyl-4-methoxyphosphinine?
1-tert-butyl-4-cyclohexyl-4-methoxyphosphinine has a molecular weight of 266.37 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-cyclohexyl-4-methoxyphosphinine is sourced from PubChem (CID 12722716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).