2-[(1,2-dimethyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane

C14H18O2 — CID 58590244

IUPAC2-[(1,2-dimethyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane
SMILESCC1Cc2c(OCC3CO3)cccc2C1C
InChIInChI=1S/C14H18O2/c1-9-6-13-12(10(9)2)4-3-5-14(13)16-8-11-7-15-11/h3-5,9-11H,6-8H2,1-2H3
InChIKeyGZEDUUIPAKUAJP-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.76
Rot. Bonds3

About 2-[(1,2-dimethyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane

2-[(1,2-dimethyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane (PubChem CID 58590244) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(1,2-dimethyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-[(1,2-dimethyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane
PubChem CID58590244
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-[(1,2-dimethyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane
SMILESCC1Cc2c(OCC3CO3)cccc2C1C
InChIInChI=1S/C14H18O2/c1-9-6-13-12(10(9)2)4-3-5-14(13)16-8-11-7-15-11/h3-5,9-11H,6-8H2,1-2H3
InChIKeyGZEDUUIPAKUAJP-UHFFFAOYSA-N
XLogP2.76
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-7-(oxiran-2-ylmethoxy)-2,3-dihydro-1-benzofuran
CID 58590252
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
2-[2-bromo-3-[[(2R)-oxiran-2-yl]methoxy]phenyl]-1,3-dioxolane
CID 155128506
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane
CID 56607199
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 22854106
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212
(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515
2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde
CID 91239700

Frequently Asked Questions

What is the IUPAC name of 2-[(1,2-dimethyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane?
The IUPAC name of 2-[(1,2-dimethyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane (CID 58590244) is 2-[(1,2-dimethyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane.
What is the SMILES notation for 2-[(1,2-dimethyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane?
The canonical SMILES for 2-[(1,2-dimethyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane is CC1Cc2c(OCC3CO3)cccc2C1C.
What is the InChIKey of 2-[(1,2-dimethyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane?
The InChIKey is GZEDUUIPAKUAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-6-13-12(10(9)2)4-3-5-14(13)16-8-11-7-15-11/h3-5,9-11H,6-8H2,1-2H3.
What are the key properties of 2-[(1,2-dimethyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane?
2-[(1,2-dimethyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane has a molecular weight of 218.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2-dimethyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane is sourced from PubChem (CID 58590244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).