3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan

C11H20O — CID 67031672

IUPAC3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan
SMILESCC1OCC2CCCCCCC21
InChIInChI=1S/C11H20O/c1-9-11-7-5-3-2-4-6-10(11)8-12-9/h9-11H,2-8H2,1H3
InChIKeyZSJLLQAGDKGCCA-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.99
Rot. Bonds

About 3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan

3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan (PubChem CID 67031672) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan.

Molecular Properties

Compound Name3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan
PubChem CID67031672
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan
SMILESCC1OCC2CCCCCCC21
InChIInChI=1S/C11H20O/c1-9-11-7-5-3-2-4-6-10(11)8-12-9/h9-11H,2-8H2,1H3
InChIKeyZSJLLQAGDKGCCA-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol
CID 11083994
4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 167015237
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
(3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan
CID 101159206
5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 118901667
(1R,8R)-9-methylbicyclo[6.1.0]nonane
CID 12870202
3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 12794840
(2-methylcyclopropyl)cyclooctane
CID 19768877
(1S,2S,3aR,7aR)-1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;cyclohexane
CID 90841263
1,3-dicyclohexyl-2,7-dimethylcyclodecane
CID 20676902
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
1-cyclodecyl-6-methylcycloundecane
CID 123480440

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan?
The IUPAC name of 3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan (CID 67031672) is 3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan.
What is the SMILES notation for 3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan?
The canonical SMILES for 3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan is CC1OCC2CCCCCCC21.
What is the InChIKey of 3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan?
The InChIKey is ZSJLLQAGDKGCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9-11-7-5-3-2-4-6-10(11)8-12-9/h9-11H,2-8H2,1H3.
What are the key properties of 3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan?
3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan has a molecular weight of 168.28 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan is sourced from PubChem (CID 67031672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).