(1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one

C15H22O2 — CID 14287137

IUPAC(1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one
SMILESC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)C[C@H]4C[C@@]4(C)[C@@H]3C[C@@H]21
InChIInChI=1S/C15H22O2/c1-8-10-4-12-14(2,5-9-6-15(9,12)3)7-11(10)17-13(8)16/h8-12H,4-7H2,1-3H3/t8-,9+,10-,11-,12-,14-,15-/m1/s1
InChIKeySBAMSVPJQFNYQW-NIIHLSIHSA-N
MW234.34 g/mol
LogP3.01
Rot. Bonds

About (1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one

(1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one (PubChem CID 14287137) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one.

Molecular Properties

Compound Name(1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one
PubChem CID14287137
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one
SMILESC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)C[C@H]4C[C@@]4(C)[C@@H]3C[C@@H]21
InChIInChI=1S/C15H22O2/c1-8-10-4-12-14(2,5-9-6-15(9,12)3)7-11(10)17-13(8)16/h8-12H,4-7H2,1-3H3/t8-,9+,10-,11-,12-,14-,15-/m1/s1
InChIKeySBAMSVPJQFNYQW-NIIHLSIHSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one with MolForge

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Launch Full Analysis

Related Compounds

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CID 12315291
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CID 10977881
[(5R,8R,9R,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxooxolan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 137705399
(3R,3aS,5aS,9R,9aS,9bS)-Octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione
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CID 16091468
(1S,3R,4S,7R,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one
CID 101666175
(3R,5R)-5-[(2R)-2-[(1S,3R,6R,8R,11S,12S,15R,16R)-6-methoxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]propyl]-3-methyloxolan-2-one
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1,6,10-Trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one
CID 14287136
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CID 70698233
[(3R,5R,8R,9R,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxooxolan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 77916121
(1S,2R,5R,6S,9R,11S,13S)-5,9,13-trimethyl-3-oxatetracyclo[7.4.0.02,6.011,13]tridecan-4-one
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Frequently Asked Questions

What is the IUPAC name of (1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one?
The IUPAC name of (1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one (CID 14287137) is (1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one.
What is the SMILES notation for (1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one?
The canonical SMILES for (1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one is C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)C[C@H]4C[C@@]4(C)[C@@H]3C[C@@H]21.
What is the InChIKey of (1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one?
The InChIKey is SBAMSVPJQFNYQW-NIIHLSIHSA-N. The full InChI is InChI=1S/C15H22O2/c1-8-10-4-12-14(2,5-9-6-15(9,12)3)7-11(10)17-13(8)16/h8-12H,4-7H2,1-3H3/t8-,9+,10-,11-,12-,14-,15-/m1/s1.
What are the key properties of (1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one?
(1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one has a molecular weight of 234.34 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one is sourced from PubChem (CID 14287137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).