4,7-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyran-1-ol

C10H16O2 — CID 142709764

IUPAC4,7-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyran-1-ol
SMILESCC1COC(O)C2=C1CCC2C
InChIInChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-7,10-11H,3-5H2,1-2H3
InChIKeySJTRIQKWNBEPLG-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.70
Rot. Bonds

About 4,7-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyran-1-ol

4,7-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyran-1-ol (PubChem CID 142709764) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4,7-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyran-1-ol.

Molecular Properties

Compound Name4,7-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyran-1-ol
PubChem CID142709764
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4,7-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyran-1-ol
SMILESCC1COC(O)C2=C1CCC2C
InChIInChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-7,10-11H,3-5H2,1-2H3
InChIKeySJTRIQKWNBEPLG-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4,7-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyran-1-ol?
The IUPAC name of 4,7-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyran-1-ol (CID 142709764) is 4,7-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyran-1-ol.
What is the SMILES notation for 4,7-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyran-1-ol?
The canonical SMILES for 4,7-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyran-1-ol is CC1COC(O)C2=C1CCC2C.
What is the InChIKey of 4,7-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyran-1-ol?
The InChIKey is SJTRIQKWNBEPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-7,10-11H,3-5H2,1-2H3.
What are the key properties of 4,7-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyran-1-ol?
4,7-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyran-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyran-1-ol is sourced from PubChem (CID 142709764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).