4,5,5,6,7,7-hexamethyl-1,6,8,9-tetrahydroindeno[2,1-c]pyran

C18H26O — CID 70611703

IUPAC4,5,5,6,7,7-hexamethyl-1,6,8,9-tetrahydroindeno[2,1-c]pyran
SMILESCC1=COCC2=C1C1=C(C2)CC(C)(C)C(C)C1(C)C
InChIInChI=1S/C18H26O/c1-11-9-19-10-14-7-13-8-17(3,4)12(2)18(5,6)16(13)15(11)14/h9,12H,7-8,10H2,1-6H3
InChIKeyNHPXKDRTEWVDJE-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.01
Rot. Bonds

About 4,5,5,6,7,7-hexamethyl-1,6,8,9-tetrahydroindeno[2,1-c]pyran

4,5,5,6,7,7-hexamethyl-1,6,8,9-tetrahydroindeno[2,1-c]pyran (PubChem CID 70611703) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 4,5,5,6,7,7-hexamethyl-1,6,8,9-tetrahydroindeno[2,1-c]pyran.

Molecular Properties

Compound Name4,5,5,6,7,7-hexamethyl-1,6,8,9-tetrahydroindeno[2,1-c]pyran
PubChem CID70611703
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name4,5,5,6,7,7-hexamethyl-1,6,8,9-tetrahydroindeno[2,1-c]pyran
SMILESCC1=COCC2=C1C1=C(C2)CC(C)(C)C(C)C1(C)C
InChIInChI=1S/C18H26O/c1-11-9-19-10-14-7-13-8-17(3,4)12(2)18(5,6)16(13)15(11)14/h9,12H,7-8,10H2,1-6H3
InChIKeyNHPXKDRTEWVDJE-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,5,6,7,7-hexamethyl-1,6,8,9-tetrahydroindeno[2,1-c]pyran?
The IUPAC name of 4,5,5,6,7,7-hexamethyl-1,6,8,9-tetrahydroindeno[2,1-c]pyran (CID 70611703) is 4,5,5,6,7,7-hexamethyl-1,6,8,9-tetrahydroindeno[2,1-c]pyran.
What is the SMILES notation for 4,5,5,6,7,7-hexamethyl-1,6,8,9-tetrahydroindeno[2,1-c]pyran?
The canonical SMILES for 4,5,5,6,7,7-hexamethyl-1,6,8,9-tetrahydroindeno[2,1-c]pyran is CC1=COCC2=C1C1=C(C2)CC(C)(C)C(C)C1(C)C.
What is the InChIKey of 4,5,5,6,7,7-hexamethyl-1,6,8,9-tetrahydroindeno[2,1-c]pyran?
The InChIKey is NHPXKDRTEWVDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-11-9-19-10-14-7-13-8-17(3,4)12(2)18(5,6)16(13)15(11)14/h9,12H,7-8,10H2,1-6H3.
What are the key properties of 4,5,5,6,7,7-hexamethyl-1,6,8,9-tetrahydroindeno[2,1-c]pyran?
4,5,5,6,7,7-hexamethyl-1,6,8,9-tetrahydroindeno[2,1-c]pyran has a molecular weight of 258.40 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,6,7,7-hexamethyl-1,6,8,9-tetrahydroindeno[2,1-c]pyran is sourced from PubChem (CID 70611703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).