9-methoxy-1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one

C20H32O4 — CID 162416550

IUPAC9-methoxy-1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one
SMILESCOC1CC2(C)C(OC3CCCCO3)C(C1=O)C1(C)CCCC21C
InChIInChI=1S/C20H32O4/c1-18-9-7-10-20(18,3)19(2)12-13(22-4)16(21)15(18)17(19)24-14-8-5-6-11-23-14/h13-15,17H,5-12H2,1-4H3
InChIKeyYTNPVPKUQKKEOS-UHFFFAOYSA-N
MW336.47 g/mol
LogP3.72
Rot. Bonds3

About 9-methoxy-1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one

9-methoxy-1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one (PubChem CID 162416550) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is 9-methoxy-1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one.

Molecular Properties

Compound Name9-methoxy-1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one
PubChem CID162416550
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name9-methoxy-1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one
SMILESCOC1CC2(C)C(OC3CCCCO3)C(C1=O)C1(C)CCCC21C
InChIInChI=1S/C20H32O4/c1-18-9-7-10-20(18,3)19(2)12-13(22-4)16(21)15(18)17(19)24-14-8-5-6-11-23-14/h13-15,17H,5-12H2,1-4H3
InChIKeyYTNPVPKUQKKEOS-UHFFFAOYSA-N
XLogP3.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-methoxy-1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one with MolForge

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Related Compounds

(1R,5S,6R)-1,3,3-trimethyl-5-[(2R)-oxan-2-yl]oxy-7-oxabicyclo[4.1.0]heptane
CID 98538924
2-methoxyoxepane
CID 24974084
(1S,4S,5S,8S)-5,8-dimethyl-4-[(2S)-oxan-2-yl]oxytricyclo[6.3.0.01,5]undecan-6-one
CID 124910420
ethane;formaldehyde;methane;2-methoxyoxane
CID 161263277
1-[(3R)-4-(oxan-2-yloxy)-1-adamantyl]ethanone
CID 122498939
2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane
CID 57121539
2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane
CID 123438419
trans-(1R,3S)-3-(oxan-2-yloxy)-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 67215035
(1S,2R,6R,7S,8R)-2,7-dimethyl-8-(oxan-2-yloxy)bicyclo[4.2.0]oct-4-en-3-one
CID 10354736
2-(oxetan-3-yloxy)oxane
CID 54083112
methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
CID 169100738
2-cycloheptyloxyoxane
CID 11735764

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one?
The IUPAC name of 9-methoxy-1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one (CID 162416550) is 9-methoxy-1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one.
What is the SMILES notation for 9-methoxy-1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one?
The canonical SMILES for 9-methoxy-1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one is COC1CC2(C)C(OC3CCCCO3)C(C1=O)C1(C)CCCC21C.
What is the InChIKey of 9-methoxy-1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one?
The InChIKey is YTNPVPKUQKKEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c1-18-9-7-10-20(18,3)19(2)12-13(22-4)16(21)15(18)17(19)24-14-8-5-6-11-23-14/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 9-methoxy-1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one?
9-methoxy-1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one has a molecular weight of 336.47 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one is sourced from PubChem (CID 162416550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).