8-methyl-4,4a,5,6,7,8-hexahydro-1aH-naphtho[1,8a-b]oxirene

C11H16O — CID 15580284

IUPAC8-methyl-4,4a,5,6,7,8-hexahydro-1aH-naphtho[1,8a-b]oxirene
SMILESCC1CCCC2CC=CC3OC123
InChIInChI=1S/C11H16O/c1-8-4-2-5-9-6-3-7-10-11(8,9)12-10/h3,7-10H,2,4-6H2,1H3
InChIKeyLSUCHBAUKUCIGA-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.52
Rot. Bonds

About 8-methyl-4,4a,5,6,7,8-hexahydro-1aH-naphtho[1,8a-b]oxirene

8-methyl-4,4a,5,6,7,8-hexahydro-1aH-naphtho[1,8a-b]oxirene (PubChem CID 15580284) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 8-methyl-4,4a,5,6,7,8-hexahydro-1aH-naphtho[1,8a-b]oxirene.

Molecular Properties

Compound Name8-methyl-4,4a,5,6,7,8-hexahydro-1aH-naphtho[1,8a-b]oxirene
PubChem CID15580284
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name8-methyl-4,4a,5,6,7,8-hexahydro-1aH-naphtho[1,8a-b]oxirene
SMILESCC1CCCC2CC=CC3OC123
InChIInChI=1S/C11H16O/c1-8-4-2-5-9-6-3-7-10-11(8,9)12-10/h3,7-10H,2,4-6H2,1H3
InChIKeyLSUCHBAUKUCIGA-UHFFFAOYSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4,4a,5,6,7,8-hexahydro-1aH-naphtho[1,8a-b]oxirene?
The IUPAC name of 8-methyl-4,4a,5,6,7,8-hexahydro-1aH-naphtho[1,8a-b]oxirene (CID 15580284) is 8-methyl-4,4a,5,6,7,8-hexahydro-1aH-naphtho[1,8a-b]oxirene.
What is the SMILES notation for 8-methyl-4,4a,5,6,7,8-hexahydro-1aH-naphtho[1,8a-b]oxirene?
The canonical SMILES for 8-methyl-4,4a,5,6,7,8-hexahydro-1aH-naphtho[1,8a-b]oxirene is CC1CCCC2CC=CC3OC123.
What is the InChIKey of 8-methyl-4,4a,5,6,7,8-hexahydro-1aH-naphtho[1,8a-b]oxirene?
The InChIKey is LSUCHBAUKUCIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-8-4-2-5-9-6-3-7-10-11(8,9)12-10/h3,7-10H,2,4-6H2,1H3.
What are the key properties of 8-methyl-4,4a,5,6,7,8-hexahydro-1aH-naphtho[1,8a-b]oxirene?
8-methyl-4,4a,5,6,7,8-hexahydro-1aH-naphtho[1,8a-b]oxirene has a molecular weight of 164.25 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4,4a,5,6,7,8-hexahydro-1aH-naphtho[1,8a-b]oxirene is sourced from PubChem (CID 15580284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).