1-tert-butyl-6-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyran

C13H20O — CID 130289998

IUPAC1-tert-butyl-6-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyran
SMILESCC1=CC2=C(CCOC2C(C)(C)C)C1
InChIInChI=1S/C13H20O/c1-9-7-10-5-6-14-12(11(10)8-9)13(2,3)4/h8,12H,5-7H2,1-4H3
InChIKeyWSJQBTRUOKVHJW-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.47
Rot. Bonds

About 1-tert-butyl-6-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyran

1-tert-butyl-6-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyran (PubChem CID 130289998) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-tert-butyl-6-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyran.

Molecular Properties

Compound Name1-tert-butyl-6-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyran
PubChem CID130289998
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-tert-butyl-6-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyran
SMILESCC1=CC2=C(CCOC2C(C)(C)C)C1
InChIInChI=1S/C13H20O/c1-9-7-10-5-6-14-12(11(10)8-9)13(2,3)4/h8,12H,5-7H2,1-4H3
InChIKeyWSJQBTRUOKVHJW-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyran?
The IUPAC name of 1-tert-butyl-6-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyran (CID 130289998) is 1-tert-butyl-6-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyran.
What is the SMILES notation for 1-tert-butyl-6-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyran?
The canonical SMILES for 1-tert-butyl-6-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyran is CC1=CC2=C(CCOC2C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-6-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyran?
The InChIKey is WSJQBTRUOKVHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-9-7-10-5-6-14-12(11(10)8-9)13(2,3)4/h8,12H,5-7H2,1-4H3.
What are the key properties of 1-tert-butyl-6-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyran?
1-tert-butyl-6-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyran has a molecular weight of 192.30 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyran is sourced from PubChem (CID 130289998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).