(5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one

C11H18O2 — CID 143875920

IUPAC(5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one
SMILESCC[C@H]1CCCC2C(=O)OCC2C1
InChIInChI=1S/C11H18O2/c1-2-8-4-3-5-10-9(6-8)7-13-11(10)12/h8-10H,2-7H2,1H3/t8-,9?,10?/m0/s1
InChIKeyGGUVWTWQEHRSTI-IDKOKCKLSA-N
MW182.26 g/mol
LogP2.38
Rot. Bonds1

About (5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one

(5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one (PubChem CID 143875920) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one.

Molecular Properties

Compound Name(5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one
PubChem CID143875920
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one
SMILESCC[C@H]1CCCC2C(=O)OCC2C1
InChIInChI=1S/C11H18O2/c1-2-8-4-3-5-10-9(6-8)7-13-11(10)12/h8-10H,2-7H2,1H3/t8-,9?,10?/m0/s1
InChIKeyGGUVWTWQEHRSTI-IDKOKCKLSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one with MolForge

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Related Compounds

3-(3-ethylcyclohexyl)cycloheptan-1-one
CID 64505271
(3aR,5R,9aR)-6-iodo-5-[(1R)-1-methoxybut-3-enyl]-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[c]furan-1-one
CID 101117944
7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane
CID 58552621
ethane;3-ethylcyclohexan-1-amine
CID 164855900
3-(3-ethylcyclohexyl)cyclohexan-1-amine
CID 64503181
4-ethyl-2-(oxan-3-yl)cyclohexan-1-one
CID 107135375
ethane;ethene;ethylcyclobutane
CID 164586585
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
ethane;bis(ethylcyclopentane)
CID 158911237
trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
CID 177191810
3-(3-ethylcyclohexyl)cyclohept-2-en-1-one
CID 107382942
2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58695351

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one?
The IUPAC name of (5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one (CID 143875920) is (5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one.
What is the SMILES notation for (5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one?
The canonical SMILES for (5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one is CC[C@H]1CCCC2C(=O)OCC2C1.
What is the InChIKey of (5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one?
The InChIKey is GGUVWTWQEHRSTI-IDKOKCKLSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-8-4-3-5-10-9(6-8)7-13-11(10)12/h8-10H,2-7H2,1H3/t8-,9?,10?/m0/s1.
What are the key properties of (5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one?
(5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one is sourced from PubChem (CID 143875920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).