3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one

C14H22O2 — CID 129168986

IUPAC3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one
SMILESCC1=COC2CCCCCC(C)CC(=O)C12
InChIInChI=1S/C14H22O2/c1-10-6-4-3-5-7-13-14(12(15)8-10)11(2)9-16-13/h9-10,13-14H,3-8H2,1-2H3
InChIKeyCDVLDVXKQVXNOR-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.46
Rot. Bonds

About 3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one

3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one (PubChem CID 129168986) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one.

Molecular Properties

Compound Name3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one
PubChem CID129168986
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one
SMILESCC1=COC2CCCCCC(C)CC(=O)C12
InChIInChI=1S/C14H22O2/c1-10-6-4-3-5-7-13-14(12(15)8-10)11(2)9-16-13/h9-10,13-14H,3-8H2,1-2H3
InChIKeyCDVLDVXKQVXNOR-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one with MolForge

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Related Compounds

3,5-Dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 13081492
(2S,3S)-3,5-dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 101240152
5-Methoxy-9-methyl-7-methylidenedecan-3-one
CID 166967382
1-(2-Methyl-2,3-dihydrofuran-3-yl)pentan-1-one
CID 10487309

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one?
The IUPAC name of 3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one (CID 129168986) is 3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one.
What is the SMILES notation for 3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one?
The canonical SMILES for 3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one is CC1=COC2CCCCCC(C)CC(=O)C12.
What is the InChIKey of 3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one?
The InChIKey is CDVLDVXKQVXNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10-6-4-3-5-7-13-14(12(15)8-10)11(2)9-16-13/h9-10,13-14H,3-8H2,1-2H3.
What are the key properties of 3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one?
3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one has a molecular weight of 222.33 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one is sourced from PubChem (CID 129168986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).