(4aS,6S,7S,7aS)-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol

C9H16O2 — CID 102034145

IUPAC(4aS,6S,7S,7aS)-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol
SMILESC[C@H]1[C@H]2COCC[C@H]2C[C@@H]1O
InChIInChI=1S/C9H16O2/c1-6-8-5-11-3-2-7(8)4-9(6)10/h6-10H,2-5H2,1H3/t6-,7-,8+,9-/m0/s1
InChIKeyUBFMJSQYGGXUBD-MAUMQABQSA-N
MW156.22 g/mol
LogP1.04
Rot. Bonds

About (4aS,6S,7S,7aS)-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol

(4aS,6S,7S,7aS)-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol (PubChem CID 102034145) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (4aS,6S,7S,7aS)-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol.

Molecular Properties

Compound Name(4aS,6S,7S,7aS)-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol
PubChem CID102034145
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(4aS,6S,7S,7aS)-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol
SMILESC[C@H]1[C@H]2COCC[C@H]2C[C@@H]1O
InChIInChI=1S/C9H16O2/c1-6-8-5-11-3-2-7(8)4-9(6)10/h6-10H,2-5H2,1H3/t6-,7-,8+,9-/m0/s1
InChIKeyUBFMJSQYGGXUBD-MAUMQABQSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aS,6S,7S,7aS)-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol?
The IUPAC name of (4aS,6S,7S,7aS)-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol (CID 102034145) is (4aS,6S,7S,7aS)-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol.
What is the SMILES notation for (4aS,6S,7S,7aS)-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol?
The canonical SMILES for (4aS,6S,7S,7aS)-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol is C[C@H]1[C@H]2COCC[C@H]2C[C@@H]1O.
What is the InChIKey of (4aS,6S,7S,7aS)-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol?
The InChIKey is UBFMJSQYGGXUBD-MAUMQABQSA-N. The full InChI is InChI=1S/C9H16O2/c1-6-8-5-11-3-2-7(8)4-9(6)10/h6-10H,2-5H2,1H3/t6-,7-,8+,9-/m0/s1.
What are the key properties of (4aS,6S,7S,7aS)-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol?
(4aS,6S,7S,7aS)-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol has a molecular weight of 156.22 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6S,7S,7aS)-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol is sourced from PubChem (CID 102034145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).