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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Related Compounds

1,4-bis(cyclopropylmethoxy)cyclohexane
CID 147967519
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)cyclohexyl]ethyl]cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
CID 118282146
4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89323282
1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane
CID 22886261
1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886280
1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane
CID 20516714
4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol
CID 70671036
4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol
CID 167477280
1-(cyclohexylmethoxy)-4-methylcyclohexane
CID 21137244
[4-(cyclobutylmethoxy)cyclohexyl]methanol
CID 106825263
1,3-bis[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy]propan-2-ol;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
CID 161181502
3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol
CID 138483628

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).