1,1,3,3,4-pentamethyl-4H-isochromene

C14H20O — CID 151408843

IUPAC1,1,3,3,4-pentamethyl-4H-isochromene
SMILESCC1c2ccccc2C(C)(C)OC1(C)C
InChIInChI=1S/C14H20O/c1-10-11-8-6-7-9-12(11)14(4,5)15-13(10,2)3/h6-10H,1-5H3
InChIKeyOYBMHMRQHPLDND-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.83
Rot. Bonds

About 1,1,3,3,4-pentamethyl-4H-isochromene

1,1,3,3,4-pentamethyl-4H-isochromene (PubChem CID 151408843) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1,1,3,3,4-pentamethyl-4H-isochromene.

Molecular Properties

Compound Name1,1,3,3,4-pentamethyl-4H-isochromene
PubChem CID151408843
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1,1,3,3,4-pentamethyl-4H-isochromene
SMILESCC1c2ccccc2C(C)(C)OC1(C)C
InChIInChI=1S/C14H20O/c1-10-11-8-6-7-9-12(11)14(4,5)15-13(10,2)3/h6-10H,1-5H3
InChIKeyOYBMHMRQHPLDND-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,4-pentamethyl-4H-isochromene?
The IUPAC name of 1,1,3,3,4-pentamethyl-4H-isochromene (CID 151408843) is 1,1,3,3,4-pentamethyl-4H-isochromene.
What is the SMILES notation for 1,1,3,3,4-pentamethyl-4H-isochromene?
The canonical SMILES for 1,1,3,3,4-pentamethyl-4H-isochromene is CC1c2ccccc2C(C)(C)OC1(C)C.
What is the InChIKey of 1,1,3,3,4-pentamethyl-4H-isochromene?
The InChIKey is OYBMHMRQHPLDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-10-11-8-6-7-9-12(11)14(4,5)15-13(10,2)3/h6-10H,1-5H3.
What are the key properties of 1,1,3,3,4-pentamethyl-4H-isochromene?
1,1,3,3,4-pentamethyl-4H-isochromene has a molecular weight of 204.31 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,4-pentamethyl-4H-isochromene is sourced from PubChem (CID 151408843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).