4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol

C18H32O3 — CID 89323282

IUPAC4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
SMILESCC(C)(C1CCC(O)CC1)C1CCC(OCC2CO2)CC1
InChIInChI=1S/C18H32O3/c1-18(2,13-3-7-15(19)8-4-13)14-5-9-16(10-6-14)20-11-17-12-21-17/h13-17,19H,3-12H2,1-2H3
InChIKeyNTIRRTWOGHUSDT-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.54
Rot. Bonds5

About 4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol

4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol (PubChem CID 89323282) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
PubChem CID89323282
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
SMILESCC(C)(C1CCC(O)CC1)C1CCC(OCC2CO2)CC1
InChIInChI=1S/C18H32O3/c1-18(2,13-3-7-15(19)8-4-13)14-5-9-16(10-6-14)20-11-17-12-21-17/h13-17,19H,3-12H2,1-2H3
InChIKeyNTIRRTWOGHUSDT-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol (CID 89323282) is 4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol is CC(C)(C1CCC(O)CC1)C1CCC(OCC2CO2)CC1.
What is the InChIKey of 4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is NTIRRTWOGHUSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-18(2,13-3-7-15(19)8-4-13)14-5-9-16(10-6-14)20-11-17-12-21-17/h13-17,19H,3-12H2,1-2H3.
What are the key properties of 4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol?
4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol has a molecular weight of 296.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 89323282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).