2,2,5,6,7-pentamethyl-3,4-dihydrochromene

C14H20O — CID 58669353

IUPAC2,2,5,6,7-pentamethyl-3,4-dihydrochromene
SMILESCc1cc2c(c(C)c1C)CCC(C)(C)O2
InChIInChI=1S/C14H20O/c1-9-8-13-12(11(3)10(9)2)6-7-14(4,5)15-13/h8H,6-7H2,1-5H3
InChIKeyNDLRQIFLTWEGQK-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.72
Rot. Bonds

About 2,2,5,6,7-pentamethyl-3,4-dihydrochromene

2,2,5,6,7-pentamethyl-3,4-dihydrochromene (PubChem CID 58669353) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2,2,5,6,7-pentamethyl-3,4-dihydrochromene.

Molecular Properties

Compound Name2,2,5,6,7-pentamethyl-3,4-dihydrochromene
PubChem CID58669353
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2,2,5,6,7-pentamethyl-3,4-dihydrochromene
SMILESCc1cc2c(c(C)c1C)CCC(C)(C)O2
InChIInChI=1S/C14H20O/c1-9-8-13-12(11(3)10(9)2)6-7-14(4,5)15-13/h8H,6-7H2,1-5H3
InChIKeyNDLRQIFLTWEGQK-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,6,7-pentamethyl-3,4-dihydrochromene?
The IUPAC name of 2,2,5,6,7-pentamethyl-3,4-dihydrochromene (CID 58669353) is 2,2,5,6,7-pentamethyl-3,4-dihydrochromene.
What is the SMILES notation for 2,2,5,6,7-pentamethyl-3,4-dihydrochromene?
The canonical SMILES for 2,2,5,6,7-pentamethyl-3,4-dihydrochromene is Cc1cc2c(c(C)c1C)CCC(C)(C)O2.
What is the InChIKey of 2,2,5,6,7-pentamethyl-3,4-dihydrochromene?
The InChIKey is NDLRQIFLTWEGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9-8-13-12(11(3)10(9)2)6-7-14(4,5)15-13/h8H,6-7H2,1-5H3.
What are the key properties of 2,2,5,6,7-pentamethyl-3,4-dihydrochromene?
2,2,5,6,7-pentamethyl-3,4-dihydrochromene has a molecular weight of 204.31 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,6,7-pentamethyl-3,4-dihydrochromene is sourced from PubChem (CID 58669353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).