(1aR,2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1aH-naphtho[1,8a-b]oxiren-6-one

C15H20O2 — CID 10036916

IUPAC(1aR,2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1aH-naphtho[1,8a-b]oxiren-6-one
SMILESC=C(C)[C@H]1CC[C@]2(C)CC(=O)C=C(C)[C@]23O[C@H]13
InChIInChI=1S/C15H20O2/c1-9(2)12-5-6-14(4)8-11(16)7-10(3)15(14)13(12)17-15/h7,12-13H,1,5-6,8H2,2-4H3/t12-,13-,14-,15-/m1/s1
InChIKeyGIOCZBPNJOEKCR-KBUPBQIOSA-N
MW232.32 g/mol
LogP3.04
Rot. Bonds1

About (1aR,2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1aH-naphtho[1,8a-b]oxiren-6-one

(1aR,2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1aH-naphtho[1,8a-b]oxiren-6-one (PubChem CID 10036916) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1aR,2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1aH-naphtho[1,8a-b]oxiren-6-one.

Molecular Properties

Compound Name(1aR,2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1aH-naphtho[1,8a-b]oxiren-6-one
PubChem CID10036916
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1aR,2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1aH-naphtho[1,8a-b]oxiren-6-one
SMILESC=C(C)[C@H]1CC[C@]2(C)CC(=O)C=C(C)[C@]23O[C@H]13
InChIInChI=1S/C15H20O2/c1-9(2)12-5-6-14(4)8-11(16)7-10(3)15(14)13(12)17-15/h7,12-13H,1,5-6,8H2,2-4H3/t12-,13-,14-,15-/m1/s1
InChIKeyGIOCZBPNJOEKCR-KBUPBQIOSA-N
XLogP3.04
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1aR,2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1aH-naphtho[1,8a-b]oxiren-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1aR,2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1aH-naphtho[1,8a-b]oxiren-6-one?
The IUPAC name of (1aR,2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1aH-naphtho[1,8a-b]oxiren-6-one (CID 10036916) is (1aR,2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1aH-naphtho[1,8a-b]oxiren-6-one.
What is the SMILES notation for (1aR,2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1aH-naphtho[1,8a-b]oxiren-6-one?
The canonical SMILES for (1aR,2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1aH-naphtho[1,8a-b]oxiren-6-one is C=C(C)[C@H]1CC[C@]2(C)CC(=O)C=C(C)[C@]23O[C@H]13.
What is the InChIKey of (1aR,2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1aH-naphtho[1,8a-b]oxiren-6-one?
The InChIKey is GIOCZBPNJOEKCR-KBUPBQIOSA-N. The full InChI is InChI=1S/C15H20O2/c1-9(2)12-5-6-14(4)8-11(16)7-10(3)15(14)13(12)17-15/h7,12-13H,1,5-6,8H2,2-4H3/t12-,13-,14-,15-/m1/s1.
What are the key properties of (1aR,2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1aH-naphtho[1,8a-b]oxiren-6-one?
(1aR,2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1aH-naphtho[1,8a-b]oxiren-6-one has a molecular weight of 232.32 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1aH-naphtho[1,8a-b]oxiren-6-one is sourced from PubChem (CID 10036916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).