4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene

C15H22O — CID 6431135

IUPAC4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene
SMILESC=C(C)C1CC2=C(C)CCCC2(C)C2OC12
InChIInChI=1S/C15H22O/c1-9(2)11-8-12-10(3)6-5-7-15(12,4)14-13(11)16-14/h11,13-14H,1,5-8H2,2-4H3
InChIKeyHPCVOEQSOLQFPZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.86
Rot. Bonds1

About 4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene

4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene (PubChem CID 6431135) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene.

Molecular Properties

Compound Name4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene
PubChem CID6431135
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene
SMILESC=C(C)C1CC2=C(C)CCCC2(C)C2OC12
InChIInChI=1S/C15H22O/c1-9(2)11-8-12-10(3)6-5-7-15(12,4)14-13(11)16-14/h11,13-14H,1,5-8H2,2-4H3
InChIKeyHPCVOEQSOLQFPZ-UHFFFAOYSA-N
XLogP3.86
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.86
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'}

Analyze 4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene with MolForge

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

Launch Full Analysis

Related Compounds

1-Methyl-4-(5-methyl-1-methylenehex-4-enyl)-7-oxabicyclo[4.1.0]heptane
CID 527060
(1aS,3aS,7aS,7bS)-3a,7-dimethyl-1a-propan-2-yl-2,3,4,5,7a,7b-hexahydronaphtho[1,2-b]oxirene
CID 21586137
(1aR,2S,7aR,7bS)-4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene
CID 101204921
7-Oxabicyclo(4.1.0)heptane, 4-(1,5-dimethyl-1,4-hexadienyl)-1-methyl-
CID 536292
(1S,4S,6R)-1-Methyl-4-((Z)-6-methylhepta-2,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 11009507
beta-HIMACHALENOXIDE
CID 573697
Npc186793
CID 5363099
(1aR,3R,3aR,7aR,7bS)-5,7b-dimethyl-3-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1aH-naphtho[1,2-b]oxirene
CID 162944225
(1S,3R,6R)-6-methyl-3-(5-methyl-1-methylene-hex-4-enyl)-7-oxabicyclo[4.1.0]heptane
CID 3009224
(1S,4R,6R)-1-Methyl-4-((Z)-6-methylhepta-2,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 14335137
(E)-1-Methyl-4-(6-methylhepta-2,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 14335136
(1R,4S,6S)-4-[(1Z)-1,5-Dimethyl-1,4-hexadien-1-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 11031397

Frequently Asked Questions

What is the IUPAC name of 4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene?
The IUPAC name of 4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene (CID 6431135) is 4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene.
What is the SMILES notation for 4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene?
The canonical SMILES for 4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene is C=C(C)C1CC2=C(C)CCCC2(C)C2OC12.
What is the InChIKey of 4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene?
The InChIKey is HPCVOEQSOLQFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-9(2)11-8-12-10(3)6-5-7-15(12,4)14-13(11)16-14/h11,13-14H,1,5-8H2,2-4H3.
What are the key properties of 4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene?
4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene has a molecular weight of 218.34 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7a-dimethyl-2-prop-1-en-2-yl-2,3,5,6,7,7b-hexahydro-1aH-naphtho[1,2-b]oxirene is sourced from PubChem (CID 6431135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).