6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one

C11H14O2 — CID 154506458

IUPAC6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one
SMILESO=C1OC2CC3CC4CC1CC32C4
InChIInChI=1S/C11H14O2/c12-10-7-1-6-2-8-3-9(13-10)11(8,4-6)5-7/h6-9H,1-5H2
InChIKeyLNOJCNOBNHMFOM-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.74
Rot. Bonds

About 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one

6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one (PubChem CID 154506458) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one.

Molecular Properties

Compound Name6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one
PubChem CID154506458
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one
SMILESO=C1OC2CC3CC4CC1CC32C4
InChIInChI=1S/C11H14O2/c12-10-7-1-6-2-8-3-9(13-10)11(8,4-6)5-7/h6-9H,1-5H2
InChIKeyLNOJCNOBNHMFOM-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one with MolForge

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Related Compounds

2,2-dimethyl-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one
CID 158094894
8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one
CID 167249898
9-methyl-4-oxatricyclo[4.4.1.13,9]dodecan-5-one
CID 59832837
(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxymethyl 2-bromoacetate
CID 88899734
1-aminoadamantan-2-one;hydrochloride
CID 12563251
2-hydroxy-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one
CID 153141936
6-azatetracyclo[6.3.1.03,10.05,10]dodecane
CID 163941140
6-methyl-5-oxatricyclo[5.3.1.13,9]dodecan-4-one
CID 15519217
21,21-dimethyl-3,14-dioxatetracyclo[14.2.2.14,13.06,11]henicosane-2,15-dione
CID 67708903
(methoxyamino)sulfanyl 5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 88990260
7,7-difluoro-3-oxabicyclo[3.3.1]nonane-2,4-dione
CID 87420614
(4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate
CID 134267800

Frequently Asked Questions

What is the IUPAC name of 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one?
The IUPAC name of 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one (CID 154506458) is 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one.
What is the SMILES notation for 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one?
The canonical SMILES for 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one is O=C1OC2CC3CC4CC1CC32C4.
What is the InChIKey of 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one?
The InChIKey is LNOJCNOBNHMFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-10-7-1-6-2-8-3-9(13-10)11(8,4-6)5-7/h6-9H,1-5H2.
What are the key properties of 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one?
6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one has a molecular weight of 178.23 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one is sourced from PubChem (CID 154506458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).