1,1-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran

C10H16O — CID 10654414

IUPAC1,1-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran
SMILESCC1(C)OCCC2CCC=C21
InChIInChI=1S/C10H16O/c1-10(2)9-5-3-4-8(9)6-7-11-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyQJEUHWHCIXSQMK-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds

About 1,1-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran

1,1-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran (PubChem CID 10654414) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,1-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran.

Molecular Properties

Compound Name1,1-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran
PubChem CID10654414
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1,1-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran
SMILESCC1(C)OCCC2CCC=C21
InChIInChI=1S/C10H16O/c1-10(2)9-5-3-4-8(9)6-7-11-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyQJEUHWHCIXSQMK-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran?
The IUPAC name of 1,1-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran (CID 10654414) is 1,1-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran.
What is the SMILES notation for 1,1-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran?
The canonical SMILES for 1,1-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran is CC1(C)OCCC2CCC=C21.
What is the InChIKey of 1,1-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran?
The InChIKey is QJEUHWHCIXSQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-10(2)9-5-3-4-8(9)6-7-11-10/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 1,1-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran?
1,1-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran has a molecular weight of 152.24 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran is sourced from PubChem (CID 10654414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).