4,4a-dimethyl-6-prop-1-en-2-ylnaphtho[1,8a-b]oxirene

C15H16O — CID 22104939

IUPAC4,4a-dimethyl-6-prop-1-en-2-ylnaphtho[1,8a-b]oxirene
SMILESC=C(C)C1=CC2(C)C(C)=CC=C3OC32C=C1
InChIInChI=1S/C15H16O/c1-10(2)12-7-8-15-13(16-15)6-5-11(3)14(15,4)9-12/h5-9H,1H2,2-4H3
InChIKeyWSVVXNPATTUCAA-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.68
Rot. Bonds1

About 4,4a-dimethyl-6-prop-1-en-2-ylnaphtho[1,8a-b]oxirene

4,4a-dimethyl-6-prop-1-en-2-ylnaphtho[1,8a-b]oxirene (PubChem CID 22104939) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 4,4a-dimethyl-6-prop-1-en-2-ylnaphtho[1,8a-b]oxirene.

Molecular Properties

Compound Name4,4a-dimethyl-6-prop-1-en-2-ylnaphtho[1,8a-b]oxirene
PubChem CID22104939
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name4,4a-dimethyl-6-prop-1-en-2-ylnaphtho[1,8a-b]oxirene
SMILESC=C(C)C1=CC2(C)C(C)=CC=C3OC32C=C1
InChIInChI=1S/C15H16O/c1-10(2)12-7-8-15-13(16-15)6-5-11(3)14(15,4)9-12/h5-9H,1H2,2-4H3
InChIKeyWSVVXNPATTUCAA-UHFFFAOYSA-N
XLogP3.68
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4,4a-dimethyl-6-prop-1-en-2-ylnaphtho[1,8a-b]oxirene?
The IUPAC name of 4,4a-dimethyl-6-prop-1-en-2-ylnaphtho[1,8a-b]oxirene (CID 22104939) is 4,4a-dimethyl-6-prop-1-en-2-ylnaphtho[1,8a-b]oxirene.
What is the SMILES notation for 4,4a-dimethyl-6-prop-1-en-2-ylnaphtho[1,8a-b]oxirene?
The canonical SMILES for 4,4a-dimethyl-6-prop-1-en-2-ylnaphtho[1,8a-b]oxirene is C=C(C)C1=CC2(C)C(C)=CC=C3OC32C=C1.
What is the InChIKey of 4,4a-dimethyl-6-prop-1-en-2-ylnaphtho[1,8a-b]oxirene?
The InChIKey is WSVVXNPATTUCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-10(2)12-7-8-15-13(16-15)6-5-11(3)14(15,4)9-12/h5-9H,1H2,2-4H3.
What are the key properties of 4,4a-dimethyl-6-prop-1-en-2-ylnaphtho[1,8a-b]oxirene?
4,4a-dimethyl-6-prop-1-en-2-ylnaphtho[1,8a-b]oxirene has a molecular weight of 212.29 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a-dimethyl-6-prop-1-en-2-ylnaphtho[1,8a-b]oxirene is sourced from PubChem (CID 22104939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).