(3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan

C11H20O — CID 101159206

IUPAC(3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan
SMILESC[C@@H]1CO[C@@H]2CCCCCC[C@H]12
InChIInChI=1S/C11H20O/c1-9-8-12-11-7-5-3-2-4-6-10(9)11/h9-11H,2-8H2,1H3/t9-,10-,11-/m1/s1
InChIKeyVSWMSFDMALNTDF-GMTAPVOTSA-N
MW168.28 g/mol
LogP2.99
Rot. Bonds

About (3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan

(3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan (PubChem CID 101159206) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan.

Molecular Properties

Compound Name(3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan
PubChem CID101159206
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan
SMILESC[C@@H]1CO[C@@H]2CCCCCC[C@H]12
InChIInChI=1S/C11H20O/c1-9-8-12-11-7-5-3-2-4-6-10(9)11/h9-11H,2-8H2,1H3/t9-,10-,11-/m1/s1
InChIKeyVSWMSFDMALNTDF-GMTAPVOTSA-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

Analyze (3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan with MolForge

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Related Compounds

(3R,3aR,6aR)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 89392959
(3S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-amine
CID 100664845
2-methyl-6-oxabicyclo[3.2.0]heptane
CID 89027469
3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine
CID 90322116
(3S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-carboxylic acid
CID 124748850
(4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran
CID 100959925
3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 12794840
(6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine
CID 158892420
N-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine
CID 166968771
(3R,3aR,4R,7aS)-3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine
CID 129413344
2-oxatricyclo[5.4.0.04,8]undecane
CID 91210751
3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan
CID 67031672

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan?
The IUPAC name of (3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan (CID 101159206) is (3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan.
What is the SMILES notation for (3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan?
The canonical SMILES for (3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan is C[C@@H]1CO[C@@H]2CCCCCC[C@H]12.
What is the InChIKey of (3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan?
The InChIKey is VSWMSFDMALNTDF-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H20O/c1-9-8-12-11-7-5-3-2-4-6-10(9)11/h9-11H,2-8H2,1H3/t9-,10-,11-/m1/s1.
What are the key properties of (3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan?
(3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]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 (3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan is sourced from PubChem (CID 101159206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).