4,4-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene]

C13H16O3 — CID 14493748

IUPAC4,4-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene]
SMILESCC1(C)COC2(CCc3ccccc3O2)O1
InChIInChI=1S/C13H16O3/c1-12(2)9-14-13(16-12)8-7-10-5-3-4-6-11(10)15-13/h3-6H,7-9H2,1-2H3
InChIKeyVCFAYFFWXJWSDF-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.49
Rot. Bonds

About 4,4-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene]

4,4-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene] (PubChem CID 14493748) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4,4-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene].

Molecular Properties

Compound Name4,4-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene]
PubChem CID14493748
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name4,4-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene]
SMILESCC1(C)COC2(CCc3ccccc3O2)O1
InChIInChI=1S/C13H16O3/c1-12(2)9-14-13(16-12)8-7-10-5-3-4-6-11(10)15-13/h3-6H,7-9H2,1-2H3
InChIKeyVCFAYFFWXJWSDF-UHFFFAOYSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene] 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

Chroman
CID 136319
Tetrahydro-2-(4-methylphenoxy)-2H-pyran
CID 114531
Verimol C
CID 85187741
Anisaldehyde propyleneglycol acetal
CID 98081
2-Methylchroman
CID 380149
(+)-(2R,4S,5R,6R)-2-(2-Hydroxyethyl)-benzo[h]1,7-dioxaspiro[5.5]decane-4-ol
CID 24792165
(+)-(2R,4S,5R,6S)-2-(2-Hydroxyethyl)-benzo[h]1,7-dioxaspiro[5.5]decane-4-ol
CID 24792166
(+)-(2R,4S,5R,6R)-2-(2-Hydroxyethyl)-benzo[h]1,7-dioxaspiro[5.4]decane-4-ol
CID 24792169
(+)-(2R,4R,5S,6S)-2-(2-Hydroxyethyl)-benzo[h]1,7-dioxaspiro[5.4]decane-4-ol
CID 24792171
(-)-(2S,4R,5S,6R)-2-(2-Hydroxyethyl)-benzo[h]1,7-dioxaspiro[5.5]decane-4-ol
CID 25163497
Daldiniside A
CID 129904759
2-[2-(2,6-Dimethylphenoxy)ethoxy]oxane
CID 10857898

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene]?
The IUPAC name of 4,4-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene] (CID 14493748) is 4,4-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene].
What is the SMILES notation for 4,4-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene]?
The canonical SMILES for 4,4-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene] is CC1(C)COC2(CCc3ccccc3O2)O1.
What is the InChIKey of 4,4-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene]?
The InChIKey is VCFAYFFWXJWSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-12(2)9-14-13(16-12)8-7-10-5-3-4-6-11(10)15-13/h3-6H,7-9H2,1-2H3.
What are the key properties of 4,4-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene]?
4,4-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene] has a molecular weight of 220.27 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene] is sourced from PubChem (CID 14493748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).