2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene

C12H18O — CID 59271485

IUPAC2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene
SMILESCC1=CC=C2CCC(C)OC2C1C
InChIInChI=1S/C12H18O/c1-8-4-6-11-7-5-9(2)13-12(11)10(8)3/h4,6,9-10,12H,5,7H2,1-3H3
InChIKeyBXITWLZFSFBKCH-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.08
Rot. Bonds

About 2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene

2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene (PubChem CID 59271485) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene.

Molecular Properties

Compound Name2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene
PubChem CID59271485
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene
SMILESCC1=CC=C2CCC(C)OC2C1C
InChIInChI=1S/C12H18O/c1-8-4-6-11-7-5-9(2)13-12(11)10(8)3/h4,6,9-10,12H,5,7H2,1-3H3
InChIKeyBXITWLZFSFBKCH-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene?
The IUPAC name of 2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene (CID 59271485) is 2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene.
What is the SMILES notation for 2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene?
The canonical SMILES for 2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene is CC1=CC=C2CCC(C)OC2C1C.
What is the InChIKey of 2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene?
The InChIKey is BXITWLZFSFBKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-8-4-6-11-7-5-9(2)13-12(11)10(8)3/h4,6,9-10,12H,5,7H2,1-3H3.
What are the key properties of 2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene?
2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene has a molecular weight of 178.27 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene is sourced from PubChem (CID 59271485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).