1,4,5,5,8,8-hexamethyl-3,4-dihydro-1H-isochromene

C15H24O — CID 155014358

IUPAC1,4,5,5,8,8-hexamethyl-3,4-dihydro-1H-isochromene
SMILESCC1COC(C)C2=C1C(C)(C)C=CC2(C)C
InChIInChI=1S/C15H24O/c1-10-9-16-11(2)13-12(10)14(3,4)7-8-15(13,5)6/h7-8,10-11H,9H2,1-6H3
InChIKeyPPTCPQPASLGWFV-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.96
Rot. Bonds

About 1,4,5,5,8,8-hexamethyl-3,4-dihydro-1H-isochromene

1,4,5,5,8,8-hexamethyl-3,4-dihydro-1H-isochromene (PubChem CID 155014358) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1,4,5,5,8,8-hexamethyl-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name1,4,5,5,8,8-hexamethyl-3,4-dihydro-1H-isochromene
PubChem CID155014358
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1,4,5,5,8,8-hexamethyl-3,4-dihydro-1H-isochromene
SMILESCC1COC(C)C2=C1C(C)(C)C=CC2(C)C
InChIInChI=1S/C15H24O/c1-10-9-16-11(2)13-12(10)14(3,4)7-8-15(13,5)6/h7-8,10-11H,9H2,1-6H3
InChIKeyPPTCPQPASLGWFV-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,5,8,8-hexamethyl-3,4-dihydro-1H-isochromene?
The IUPAC name of 1,4,5,5,8,8-hexamethyl-3,4-dihydro-1H-isochromene (CID 155014358) is 1,4,5,5,8,8-hexamethyl-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 1,4,5,5,8,8-hexamethyl-3,4-dihydro-1H-isochromene?
The canonical SMILES for 1,4,5,5,8,8-hexamethyl-3,4-dihydro-1H-isochromene is CC1COC(C)C2=C1C(C)(C)C=CC2(C)C.
What is the InChIKey of 1,4,5,5,8,8-hexamethyl-3,4-dihydro-1H-isochromene?
The InChIKey is PPTCPQPASLGWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10-9-16-11(2)13-12(10)14(3,4)7-8-15(13,5)6/h7-8,10-11H,9H2,1-6H3.
What are the key properties of 1,4,5,5,8,8-hexamethyl-3,4-dihydro-1H-isochromene?
1,4,5,5,8,8-hexamethyl-3,4-dihydro-1H-isochromene has a molecular weight of 220.36 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,5,8,8-hexamethyl-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 155014358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).