(4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran

C9H16O — CID 100959925

IUPAC(4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran
SMILESC[C@H]1CC[C@@H]2OCCC[C@@H]21
InChIInChI=1S/C9H16O/c1-7-4-5-9-8(7)3-2-6-10-9/h7-9H,2-6H2,1H3/t7-,8+,9-/m0/s1
InChIKeyUHUSQLBKIRUTII-YIZRAAEISA-N
MW140.23 g/mol
LogP2.21
Rot. Bonds

About (4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran

(4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran (PubChem CID 100959925) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran.

Molecular Properties

Compound Name(4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran
PubChem CID100959925
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran
SMILESC[C@H]1CC[C@@H]2OCCC[C@@H]21
InChIInChI=1S/C9H16O/c1-7-4-5-9-8(7)3-2-6-10-9/h7-9H,2-6H2,1H3/t7-,8+,9-/m0/s1
InChIKeyUHUSQLBKIRUTII-YIZRAAEISA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran with MolForge

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Related Compounds

2-methyl-6-oxabicyclo[3.2.0]heptane
CID 89027469
(3R,3aR,6aR)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 89392959
(3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan
CID 101159206
2-(oxolan-2-yl)cyclopentan-1-amine
CID 45098422
3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 12794840
(2S,3R)-2,3-dimethyloxane
CID 121479351
2-(oxiran-2-yl)oxolane
CID 18759351
(1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine
CID 97308025
(3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran
CID 163821136
(1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine
CID 136589254
2-(oxolan-2-yl)cyclopropane-1-carboxylic acid
CID 82836902
3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one
CID 131123608

Frequently Asked Questions

What is the IUPAC name of (4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran?
The IUPAC name of (4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran (CID 100959925) is (4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran.
What is the SMILES notation for (4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran?
The canonical SMILES for (4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran is C[C@H]1CC[C@@H]2OCCC[C@@H]21.
What is the InChIKey of (4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran?
The InChIKey is UHUSQLBKIRUTII-YIZRAAEISA-N. The full InChI is InChI=1S/C9H16O/c1-7-4-5-9-8(7)3-2-6-10-9/h7-9H,2-6H2,1H3/t7-,8+,9-/m0/s1.
What are the key properties of (4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran?
(4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran has a molecular weight of 140.23 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran is sourced from PubChem (CID 100959925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).