(1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene

C14H18O3 — CID 129385470

IUPAC(1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene
SMILESCCCOc1ccc2c(c1)[C@H]1O[C@@H]1C(C)(C)O2
InChIInChI=1S/C14H18O3/c1-4-7-15-9-5-6-11-10(8-9)12-13(16-12)14(2,3)17-11/h5-6,8,12-13H,4,7H2,1-3H3/t12-,13+/m1/s1
InChIKeyRTIZJZZWGMWEKB-OLZOCXBDSA-N
MW234.29 g/mol
LogP3.09
Rot. Bonds3

About (1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene

(1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene (PubChem CID 129385470) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene.

Molecular Properties

Compound Name(1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene
PubChem CID129385470
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene
SMILESCCCOc1ccc2c(c1)[C@H]1O[C@@H]1C(C)(C)O2
InChIInChI=1S/C14H18O3/c1-4-7-15-9-5-6-11-10(8-9)12-13(16-12)14(2,3)17-11/h5-6,8,12-13H,4,7H2,1-3H3/t12-,13+/m1/s1
InChIKeyRTIZJZZWGMWEKB-OLZOCXBDSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene
CID 13222925
2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene
CID 14857401
N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-yl]-N-methylmethanesulfonamide
CID 102023241
(2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)methanol
CID 135080425
(1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene
CID 10825653
1-[(1aS,7bR)-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl]ethanone
CID 129383166
(2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-5-yl) acetate
CID 72978618
N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
CID 82461986
6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 11831848
N-[(1aR,7bS)-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl]acetamide
CID 129383167
6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462351
2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine
CID 82462306

Frequently Asked Questions

What is the IUPAC name of (1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene?
The IUPAC name of (1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene (CID 129385470) is (1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene.
What is the SMILES notation for (1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene?
The canonical SMILES for (1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene is CCCOc1ccc2c(c1)[C@H]1O[C@@H]1C(C)(C)O2.
What is the InChIKey of (1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene?
The InChIKey is RTIZJZZWGMWEKB-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-7-15-9-5-6-11-10(8-9)12-13(16-12)14(2,3)17-11/h5-6,8,12-13H,4,7H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of (1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene?
(1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene has a molecular weight of 234.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene is sourced from PubChem (CID 129385470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).