3-(methoxymethyl)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene

C15H24O2 — CID 613425

IUPAC3-(methoxymethyl)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene
SMILESCOCC1=C(C)OC2(C)CCCC(C)(C)C2=C1
InChIInChI=1S/C15H24O2/c1-11-12(10-16-5)9-13-14(2,3)7-6-8-15(13,4)17-11/h9H,6-8,10H2,1-5H3
InChIKeyJDMUXNIBEJTASB-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.83
Rot. Bonds2

About 3-(methoxymethyl)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene

3-(methoxymethyl)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene (PubChem CID 613425) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-(methoxymethyl)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene.

Molecular Properties

Compound Name3-(methoxymethyl)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene
PubChem CID613425
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-(methoxymethyl)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene
SMILESCOCC1=C(C)OC2(C)CCCC(C)(C)C2=C1
InChIInChI=1S/C15H24O2/c1-11-12(10-16-5)9-13-14(2,3)7-6-8-15(13,4)17-11/h9H,6-8,10H2,1-5H3
InChIKeyJDMUXNIBEJTASB-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(methoxymethyl)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene 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 3-(methoxymethyl)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene?
The IUPAC name of 3-(methoxymethyl)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene (CID 613425) is 3-(methoxymethyl)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene.
What is the SMILES notation for 3-(methoxymethyl)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene?
The canonical SMILES for 3-(methoxymethyl)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene is COCC1=C(C)OC2(C)CCCC(C)(C)C2=C1.
What is the InChIKey of 3-(methoxymethyl)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene?
The InChIKey is JDMUXNIBEJTASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-12(10-16-5)9-13-14(2,3)7-6-8-15(13,4)17-11/h9H,6-8,10H2,1-5H3.
What are the key properties of 3-(methoxymethyl)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene?
3-(methoxymethyl)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene has a molecular weight of 236.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene is sourced from PubChem (CID 613425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).