(1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one

C14H22O2 — CID 10466127

IUPAC(1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one
SMILESCOC1=C(C)C(=O)[C@@H]2CC[C@](C)(C1)C2(C)C
InChIInChI=1S/C14H22O2/c1-9-11(16-5)8-14(4)7-6-10(12(9)15)13(14,2)3/h10H,6-8H2,1-5H3/t10-,14+/m0/s1
InChIKeyKXUXXXWWHNTLPD-IINYFYTJSA-N
MW222.33 g/mol
LogP3.32
Rot. Bonds1

About (1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one

(1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one (PubChem CID 10466127) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one.

Molecular Properties

Compound Name(1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one
PubChem CID10466127
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one
SMILESCOC1=C(C)C(=O)[C@@H]2CC[C@](C)(C1)C2(C)C
InChIInChI=1S/C14H22O2/c1-9-11(16-5)8-14(4)7-6-10(12(9)15)13(14,2)3/h10H,6-8H2,1-5H3/t10-,14+/m0/s1
InChIKeyKXUXXXWWHNTLPD-IINYFYTJSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one with MolForge

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Related Compounds

4-Methoxy-1,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 2750836
4-Methoxy-5,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 86252818
(5aR,8aS)-7,7-dimethyl-2,3,5a,6,8,8a-hexahydro-1H-pentaleno[2,1-b]pyran-5-one
CID 11195103
(3R,3aR)-8-hydroxy-3a-methyl-3-propan-2-yl-2,3,4,5,6,7-hexahydroazulen-1-one
CID 16719355
Oxyathylidencampher
CID 74030676
Oxypropylidencampher
CID 129639326
(1R,6R)-4-methoxy-6,9,9-trimethylbicyclo[4.2.1]non-3-en-2-one
CID 10081797
(1R,6R)-5-methoxy-1,9,9-trimethylbicyclo[4.2.1]non-4-en-3-one
CID 10398151
3-Bromo-4-methoxy-1,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 2750848
1-[(1S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]ethanone
CID 7053497
(1S,5R)-4-methoxy-1,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 7159496
(1R,5S)-4-methoxy-1,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 7159497

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one?
The IUPAC name of (1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one (CID 10466127) is (1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one.
What is the SMILES notation for (1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one?
The canonical SMILES for (1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one is COC1=C(C)C(=O)[C@@H]2CC[C@](C)(C1)C2(C)C.
What is the InChIKey of (1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one?
The InChIKey is KXUXXXWWHNTLPD-IINYFYTJSA-N. The full InChI is InChI=1S/C14H22O2/c1-9-11(16-5)8-14(4)7-6-10(12(9)15)13(14,2)3/h10H,6-8H2,1-5H3/t10-,14+/m0/s1.
What are the key properties of (1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one?
(1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one has a molecular weight of 222.33 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one is sourced from PubChem (CID 10466127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).