2-[2-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]ethyl]phosphirane

C23H41OP — CID 171830978

IUPAC2-[2-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]ethyl]phosphirane
SMILESCC(C)(C1CCC(CCC2CP2)CC1)C1CCC(OCC2CC2)CC1
InChIInChI=1S/C23H41OP/c1-23(2,19-8-5-17(6-9-19)7-14-22-16-25-22)20-10-12-21(13-11-20)24-15-18-3-4-18/h17-22,25H,3-16H2,1-2H3
InChIKeyTUOWBKZPUMABKS-UHFFFAOYSA-N
MW364.55 g/mol
LogP6.65
Rot. Bonds8

About 2-[2-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]ethyl]phosphirane

2-[2-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]ethyl]phosphirane (PubChem CID 171830978) has the molecular formula C23H41OP and a molecular weight of 364.55 g/mol. Its IUPAC name is 2-[2-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]ethyl]phosphirane.

Molecular Properties

Compound Name2-[2-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]ethyl]phosphirane
PubChem CID171830978
Molecular FormulaC23H41OP
Molecular Weight364.55 g/mol
Exact Mass364.29
IUPAC Name2-[2-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]ethyl]phosphirane
SMILESCC(C)(C1CCC(CCC2CP2)CC1)C1CCC(OCC2CC2)CC1
InChIInChI=1S/C23H41OP/c1-23(2,19-8-5-17(6-9-19)7-14-22-16-25-22)20-10-12-21(13-11-20)24-15-18-3-4-18/h17-22,25H,3-16H2,1-2H3
InChIKeyTUOWBKZPUMABKS-UHFFFAOYSA-N
XLogP6.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.55
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]ethyl]phosphirane?
The IUPAC name of 2-[2-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]ethyl]phosphirane (CID 171830978) is 2-[2-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]ethyl]phosphirane.
What is the SMILES notation for 2-[2-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]ethyl]phosphirane?
The canonical SMILES for 2-[2-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]ethyl]phosphirane is CC(C)(C1CCC(CCC2CP2)CC1)C1CCC(OCC2CC2)CC1.
What is the InChIKey of 2-[2-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]ethyl]phosphirane?
The InChIKey is TUOWBKZPUMABKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41OP/c1-23(2,19-8-5-17(6-9-19)7-14-22-16-25-22)20-10-12-21(13-11-20)24-15-18-3-4-18/h17-22,25H,3-16H2,1-2H3.
What are the key properties of 2-[2-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]ethyl]phosphirane?
2-[2-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]ethyl]phosphirane has a molecular weight of 364.55 g/mol, XLogP of 6.65, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]ethyl]phosphirane is sourced from PubChem (CID 171830978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).