4-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran

C9H16O — CID 134859099

IUPAC4-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran
SMILESCC1CCOC2CCCC12
InChIInChI=1S/C9H16O/c1-7-5-6-10-9-4-2-3-8(7)9/h7-9H,2-6H2,1H3
InChIKeyXZWCFETUFVOPSH-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.21
Rot. Bonds

About 4-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran

4-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran (PubChem CID 134859099) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran.

Molecular Properties

Compound Name4-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran
PubChem CID134859099
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran
SMILESCC1CCOC2CCCC12
InChIInChI=1S/C9H16O/c1-7-5-6-10-9-4-2-3-8(7)9/h7-9H,2-6H2,1H3
InChIKeyXZWCFETUFVOPSH-UHFFFAOYSA-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

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Related Compounds

2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
Iridoid skeleton
CID 45098403
(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
CID 12684605
Oxabicyclo[4.3.0]nonane
CID 54199896
2-Methyl-3-amyltetrahydropyran
CID 129789661
(2R,3S,4R,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane
CID 163662821
(2R,3R,4R,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane
CID 163662822
(2R,3S,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane
CID 163662836
(2S,4R)-4-methyl-2-(2-methylpropyl)oxane
CID 12684604
2-Cyclopentyloxane
CID 56613835
4,7-Dimethyloctahydrocyclopenta[c]pyran
CID 93508430
Oxatricyclo[7,4,0,0 3,7]tridecan
CID 12538382

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran?
The IUPAC name of 4-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran (CID 134859099) is 4-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran.
What is the SMILES notation for 4-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran?
The canonical SMILES for 4-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran is CC1CCOC2CCCC12.
What is the InChIKey of 4-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran?
The InChIKey is XZWCFETUFVOPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-5-6-10-9-4-2-3-8(7)9/h7-9H,2-6H2,1H3.
What are the key properties of 4-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran?
4-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 4-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran is sourced from PubChem (CID 134859099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).