3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan]

C14H16O2 — CID 134986595

IUPAC3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan]
SMILESCC1=C(C)C2(Cc3ccccc3CO2)OC1
InChIInChI=1S/C14H16O2/c1-10-8-15-14(11(10)2)7-12-5-3-4-6-13(12)9-16-14/h3-6H,7-9H2,1-2H3
InChIKeyQTFVPACXHSODGZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.82
Rot. Bonds

About 3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan]

3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan] (PubChem CID 134986595) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan].

Molecular Properties

Compound Name3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan]
PubChem CID134986595
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan]
SMILESCC1=C(C)C2(Cc3ccccc3CO2)OC1
InChIInChI=1S/C14H16O2/c1-10-8-15-14(11(10)2)7-12-5-3-4-6-13(12)9-16-14/h3-6H,7-9H2,1-2H3
InChIKeyQTFVPACXHSODGZ-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

spiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one
CID 15194336
4,4-dimethylspiro[1,3-dioxane-2,3'-1,5-dihydro-2,4-benzodioxepine]
CID 163464661
spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane]
CID 10560784
ethyl 3-phenyl-1,4-dihydroisochromene-3-carboxylate
CID 102046505
(4E)-4-ethylidenespiro[1,3-dioxane-2,3'-1,5-dihydro-2,4-benzodioxepine]
CID 163862867
6,6,8,8-tetramethyl-7,9-dihydro-5H-benzo[7]annulene
CID 23270637
3'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole]
CID 123928664
trimethyl-(1-methyl-3H-2-benzofuran-1-yl)silane
CID 11267868
trimethyl-[(1R)-1-methyl-3H-2-benzofuran-1-yl]silane
CID 12997112
trimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane
CID 101240367
CID 142437651
CID 142437651
(1R,12R)-12,15,15,19-tetramethyl-14,16-dioxatetracyclo[9.5.3.01,12.03,8]nonadeca-3,5,7,11(19)-tetraene
CID 101367358

Frequently Asked Questions

What is the IUPAC name of 3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan]?
The IUPAC name of 3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan] (CID 134986595) is 3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan].
What is the SMILES notation for 3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan]?
The canonical SMILES for 3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan] is CC1=C(C)C2(Cc3ccccc3CO2)OC1.
What is the InChIKey of 3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan]?
The InChIKey is QTFVPACXHSODGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-10-8-15-14(11(10)2)7-12-5-3-4-6-13(12)9-16-14/h3-6H,7-9H2,1-2H3.
What are the key properties of 3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan]?
3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan] has a molecular weight of 216.28 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan] is sourced from PubChem (CID 134986595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).