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

C10H18O3 — CID 71523916

IUPAC(1S,4aS,6S,7R,7aS)-1-methoxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol
SMILESCO[C@H]1OCC[C@H]2C[C@H](O)[C@H](C)[C@H]21
InChIInChI=1S/C10H18O3/c1-6-8(11)5-7-3-4-13-10(12-2)9(6)7/h6-11H,3-5H2,1-2H3/t6-,7-,8-,9+,10-/m0/s1
InChIKeyPNSYSPPIOSIJCG-WLRJLXCNSA-N
MW186.25 g/mol
LogP1.01
Rot. Bonds1

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

(1S,4aS,6S,7R,7aS)-1-methoxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol (PubChem CID 71523916) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1S,4aS,6S,7R,7aS)-1-methoxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol.

Molecular Properties

Compound Name(1S,4aS,6S,7R,7aS)-1-methoxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol
PubChem CID71523916
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(1S,4aS,6S,7R,7aS)-1-methoxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol
SMILESCO[C@H]1OCC[C@H]2C[C@H](O)[C@H](C)[C@H]21
InChIInChI=1S/C10H18O3/c1-6-8(11)5-7-3-4-13-10(12-2)9(6)7/h6-11H,3-5H2,1-2H3/t6-,7-,8-,9+,10-/m0/s1
InChIKeyPNSYSPPIOSIJCG-WLRJLXCNSA-N
XLogP1.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4R)-2-methoxyoxane-3,4-diol
CID 101075515
(2S,3R,4R)-2-methoxyoxane-3,4-diol
CID 130918320
(2R,3S,4R)-3-amino-2-methoxyoxan-4-ol
CID 55289399
(2S,3S)-2-methoxyoxolane-3-carboxylic acid
CID 97303923
CID 59732107
CID 59732107
(3R)-2-methyloxolan-3-ol
CID 89032581
(4R,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 130240888
(2S,3R,5S)-2,5-dimethoxyoxolan-3-ol
CID 99988447
(3R)-2-methoxyoxolan-3-amine
CID 121422095
[(2R,3R)-2-methoxyoxolan-3-yl]methanol
CID 130877552
(1R,4aS,6S,7R,7aS)-6-hydroxy-1-methoxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde
CID 162937684
2-methoxyoxan-3-ol;propan-1-ol
CID 145057675

Frequently Asked Questions

What is the IUPAC name of (1S,4aS,6S,7R,7aS)-1-methoxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol?
The IUPAC name of (1S,4aS,6S,7R,7aS)-1-methoxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol (CID 71523916) is (1S,4aS,6S,7R,7aS)-1-methoxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol.
What is the SMILES notation for (1S,4aS,6S,7R,7aS)-1-methoxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol?
The canonical SMILES for (1S,4aS,6S,7R,7aS)-1-methoxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol is CO[C@H]1OCC[C@H]2C[C@H](O)[C@H](C)[C@H]21.
What is the InChIKey of (1S,4aS,6S,7R,7aS)-1-methoxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol?
The InChIKey is PNSYSPPIOSIJCG-WLRJLXCNSA-N. The full InChI is InChI=1S/C10H18O3/c1-6-8(11)5-7-3-4-13-10(12-2)9(6)7/h6-11H,3-5H2,1-2H3/t6-,7-,8-,9+,10-/m0/s1.
What are the key properties of (1S,4aS,6S,7R,7aS)-1-methoxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol?
(1S,4aS,6S,7R,7aS)-1-methoxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol has a molecular weight of 186.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4aS,6S,7R,7aS)-1-methoxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol is sourced from PubChem (CID 71523916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).