(4,4-dicyclohexyl-4-methoxybut-2-enyl)phosphane

C17H31OP — CID 118536184

IUPAC(4,4-dicyclohexyl-4-methoxybut-2-enyl)phosphane
SMILESCOC(C=CCP)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H31OP/c1-18-17(13-8-14-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h8,13,15-16H,2-7,9-12,14,19H2,1H3
InChIKeyOVUAVCOVKKGSGY-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.96
Rot. Bonds5

About (4,4-dicyclohexyl-4-methoxybut-2-enyl)phosphane

(4,4-dicyclohexyl-4-methoxybut-2-enyl)phosphane (PubChem CID 118536184) has the molecular formula C17H31OP and a molecular weight of 282.41 g/mol. Its IUPAC name is (4,4-dicyclohexyl-4-methoxybut-2-enyl)phosphane.

Molecular Properties

Compound Name(4,4-dicyclohexyl-4-methoxybut-2-enyl)phosphane
PubChem CID118536184
Molecular FormulaC17H31OP
Molecular Weight282.41 g/mol
Exact Mass282.21
IUPAC Name(4,4-dicyclohexyl-4-methoxybut-2-enyl)phosphane
SMILESCOC(C=CCP)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H31OP/c1-18-17(13-8-14-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h8,13,15-16H,2-7,9-12,14,19H2,1H3
InChIKeyOVUAVCOVKKGSGY-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,4-dicyclohexyl-4-methoxybut-2-enyl)phosphane?
The IUPAC name of (4,4-dicyclohexyl-4-methoxybut-2-enyl)phosphane (CID 118536184) is (4,4-dicyclohexyl-4-methoxybut-2-enyl)phosphane.
What is the SMILES notation for (4,4-dicyclohexyl-4-methoxybut-2-enyl)phosphane?
The canonical SMILES for (4,4-dicyclohexyl-4-methoxybut-2-enyl)phosphane is COC(C=CCP)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (4,4-dicyclohexyl-4-methoxybut-2-enyl)phosphane?
The InChIKey is OVUAVCOVKKGSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31OP/c1-18-17(13-8-14-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h8,13,15-16H,2-7,9-12,14,19H2,1H3.
What are the key properties of (4,4-dicyclohexyl-4-methoxybut-2-enyl)phosphane?
(4,4-dicyclohexyl-4-methoxybut-2-enyl)phosphane has a molecular weight of 282.41 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dicyclohexyl-4-methoxybut-2-enyl)phosphane is sourced from PubChem (CID 118536184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).