2-(dimethoxymethyl)-2-methyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene

C14H18O3 — CID 58601338

IUPAC2-(dimethoxymethyl)-2-methyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene
SMILESCOC(OC)C1(C)Cc2ccccc2C2OC21
InChIInChI=1S/C14H18O3/c1-14(13(15-2)16-3)8-9-6-4-5-7-10(9)11-12(14)17-11/h4-7,11-13H,8H2,1-3H3
InChIKeyWBAGKOICYRXCTB-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.31
Rot. Bonds3

About 2-(dimethoxymethyl)-2-methyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene

2-(dimethoxymethyl)-2-methyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene (PubChem CID 58601338) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-2-methyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene.

Molecular Properties

Compound Name2-(dimethoxymethyl)-2-methyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene
PubChem CID58601338
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-(dimethoxymethyl)-2-methyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene
SMILESCOC(OC)C1(C)Cc2ccccc2C2OC21
InChIInChI=1S/C14H18O3/c1-14(13(15-2)16-3)8-9-6-4-5-7-10(9)11-12(14)17-11/h4-7,11-13H,8H2,1-3H3
InChIKeyWBAGKOICYRXCTB-UHFFFAOYSA-N
XLogP2.31
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1aS,7bR)-2,2-dimethyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene
CID 11062908
6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene
CID 12522307
2,2-dimethyl-1,3-dihydroinden-1-amine
CID 22175144
(1R,2R)-1,2-dichloro-2-methyl-1,3-dihydroindene
CID 146168714
methyl (1R,9S,11R)-9-methoxy-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-11-carboxylate
CID 135041530
N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine
CID 82815198
2,2-dimethyl-1,3-dihydroinden-1-ol;ethane
CID 162431044
[(1S)-2,2-dimethyl-1,3-dihydroinden-1-yl]oxy-tri(propan-2-yl)silane
CID 125481491
2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene
CID 18351946
1-bromo-2-methyl-1,3-dihydroinden-2-ol
CID 174888924
3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol
CID 10728752
3-(1-methoxy-2-methyl-1,3-dihydroinden-2-yl)-2-methylpropanenitrile
CID 59542287

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-2-methyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene?
The IUPAC name of 2-(dimethoxymethyl)-2-methyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene (CID 58601338) is 2-(dimethoxymethyl)-2-methyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene.
What is the SMILES notation for 2-(dimethoxymethyl)-2-methyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene?
The canonical SMILES for 2-(dimethoxymethyl)-2-methyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene is COC(OC)C1(C)Cc2ccccc2C2OC21.
What is the InChIKey of 2-(dimethoxymethyl)-2-methyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene?
The InChIKey is WBAGKOICYRXCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(13(15-2)16-3)8-9-6-4-5-7-10(9)11-12(14)17-11/h4-7,11-13H,8H2,1-3H3.
What are the key properties of 2-(dimethoxymethyl)-2-methyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene?
2-(dimethoxymethyl)-2-methyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene has a molecular weight of 234.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-2-methyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene is sourced from PubChem (CID 58601338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).