[(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol

C10H16O2 — CID 162837103

IUPAC[(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol
SMILESC[C@H]1C=C(CO)[C@@H]2COCC[C@H]12
InChIInChI=1S/C10H16O2/c1-7-4-8(5-11)10-6-12-3-2-9(7)10/h4,7,9-11H,2-3,5-6H2,1H3/t7-,9+,10-/m0/s1
InChIKeyWDYQWWXADKGRQL-SFGNSQDASA-N
MW168.24 g/mol
LogP1.21
Rot. Bonds1

About [(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol

[(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol (PubChem CID 162837103) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is [(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol.

Molecular Properties

Compound Name[(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol
PubChem CID162837103
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol
SMILESC[C@H]1C=C(CO)[C@@H]2COCC[C@H]12
InChIInChI=1S/C10H16O2/c1-7-4-8(5-11)10-6-12-3-2-9(7)10/h4,7,9-11H,2-3,5-6H2,1H3/t7-,9+,10-/m0/s1
InChIKeyWDYQWWXADKGRQL-SFGNSQDASA-N
XLogP1.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.21
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 [(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol?
The IUPAC name of [(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol (CID 162837103) is [(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol.
What is the SMILES notation for [(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol?
The canonical SMILES for [(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol is C[C@H]1C=C(CO)[C@@H]2COCC[C@H]12.
What is the InChIKey of [(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol?
The InChIKey is WDYQWWXADKGRQL-SFGNSQDASA-N. The full InChI is InChI=1S/C10H16O2/c1-7-4-8(5-11)10-6-12-3-2-9(7)10/h4,7,9-11H,2-3,5-6H2,1H3/t7-,9+,10-/m0/s1.
What are the key properties of [(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol?
[(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol has a molecular weight of 168.24 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol is sourced from PubChem (CID 162837103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).