2-(4-methylcyclohexyl)-1a,2,3,3a,4,5,6,7,7a,7b-decahydronaphtho[1,2-b]oxiren-6-ol

C17H28O2 — CID 142914652

IUPAC2-(4-methylcyclohexyl)-1a,2,3,3a,4,5,6,7,7a,7b-decahydronaphtho[1,2-b]oxiren-6-ol
SMILESCC1CCC(C2CC3CCC(O)CC3C3OC23)CC1
InChIInChI=1S/C17H28O2/c1-10-2-4-11(5-3-10)14-8-12-6-7-13(18)9-15(12)17-16(14)19-17/h10-18H,2-9H2,1H3
InChIKeyPJOZLWFQPISJLZ-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.38
Rot. Bonds1

About 2-(4-methylcyclohexyl)-1a,2,3,3a,4,5,6,7,7a,7b-decahydronaphtho[1,2-b]oxiren-6-ol

2-(4-methylcyclohexyl)-1a,2,3,3a,4,5,6,7,7a,7b-decahydronaphtho[1,2-b]oxiren-6-ol (PubChem CID 142914652) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-1a,2,3,3a,4,5,6,7,7a,7b-decahydronaphtho[1,2-b]oxiren-6-ol.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-1a,2,3,3a,4,5,6,7,7a,7b-decahydronaphtho[1,2-b]oxiren-6-ol
PubChem CID142914652
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-(4-methylcyclohexyl)-1a,2,3,3a,4,5,6,7,7a,7b-decahydronaphtho[1,2-b]oxiren-6-ol
SMILESCC1CCC(C2CC3CCC(O)CC3C3OC23)CC1
InChIInChI=1S/C17H28O2/c1-10-2-4-11(5-3-10)14-8-12-6-7-13(18)9-15(12)17-16(14)19-17/h10-18H,2-9H2,1H3
InChIKeyPJOZLWFQPISJLZ-UHFFFAOYSA-N
XLogP3.38
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(4-methylcyclohexyl)-1a,2,3,3a,4,5,6,7,7a,7b-decahydronaphtho[1,2-b]oxiren-6-ol?
The IUPAC name of 2-(4-methylcyclohexyl)-1a,2,3,3a,4,5,6,7,7a,7b-decahydronaphtho[1,2-b]oxiren-6-ol (CID 142914652) is 2-(4-methylcyclohexyl)-1a,2,3,3a,4,5,6,7,7a,7b-decahydronaphtho[1,2-b]oxiren-6-ol.
What is the SMILES notation for 2-(4-methylcyclohexyl)-1a,2,3,3a,4,5,6,7,7a,7b-decahydronaphtho[1,2-b]oxiren-6-ol?
The canonical SMILES for 2-(4-methylcyclohexyl)-1a,2,3,3a,4,5,6,7,7a,7b-decahydronaphtho[1,2-b]oxiren-6-ol is CC1CCC(C2CC3CCC(O)CC3C3OC23)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-1a,2,3,3a,4,5,6,7,7a,7b-decahydronaphtho[1,2-b]oxiren-6-ol?
The InChIKey is PJOZLWFQPISJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-10-2-4-11(5-3-10)14-8-12-6-7-13(18)9-15(12)17-16(14)19-17/h10-18H,2-9H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)-1a,2,3,3a,4,5,6,7,7a,7b-decahydronaphtho[1,2-b]oxiren-6-ol?
2-(4-methylcyclohexyl)-1a,2,3,3a,4,5,6,7,7a,7b-decahydronaphtho[1,2-b]oxiren-6-ol has a molecular weight of 264.41 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-1a,2,3,3a,4,5,6,7,7a,7b-decahydronaphtho[1,2-b]oxiren-6-ol is sourced from PubChem (CID 142914652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).