(1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one

C20H30O2 — CID 162402346

IUPAC(1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one
SMILESCOC1=CC(=O)C[C@]23C[C@]4(C)CCC(C)(C)[C@@H]4[C@H]2CC[C@]13C
InChIInChI=1S/C20H30O2/c1-17(2)8-9-18(3)12-20-11-13(21)10-15(22-5)19(20,4)7-6-14(20)16(17)18/h10,14,16H,6-9,11-12H2,1-5H3/t14-,16+,18+,19-,20+/m1/s1
InChIKeyMZAOEABZGMLGIA-MKFRZFLASA-N
MW302.46 g/mol
LogP4.74
Rot. Bonds1

About (1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one

(1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one (PubChem CID 162402346) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one.

Molecular Properties

Compound Name(1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one
PubChem CID162402346
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one
SMILESCOC1=CC(=O)C[C@]23C[C@]4(C)CCC(C)(C)[C@@H]4[C@H]2CC[C@]13C
InChIInChI=1S/C20H30O2/c1-17(2)8-9-18(3)12-20-11-13(21)10-15(22-5)19(20,4)7-6-14(20)16(17)18/h10,14,16H,6-9,11-12H2,1-5H3/t14-,16+,18+,19-,20+/m1/s1
InChIKeyMZAOEABZGMLGIA-MKFRZFLASA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one with MolForge

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Related Compounds

Conidiogenone C
CID 25194901
Methyl phomopsenonate
CID 25229139
4-Methoxy-5,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 86252818
(1R,6S,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one
CID 134955686
(1R,3R,8R,11S,12R)-9-methoxy-8,11-dimethyl-12-propan-2-yltetracyclo[6.6.0.01,11.03,7]tetradeca-6,9-dien-5-one
CID 138980040
(1S,2S,6R,9S,10S,11S,14R)-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-3-en-5-one
CID 162401567
(1S,2S,6R,9S,10S,11R,14R)-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-3-en-5-one
CID 162401568
(1R,2R,6S,9R,10R,11S,14S)-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-3-en-5-one
CID 25223217
11-(Hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-3-en-5-one
CID 74405705
(1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one
CID 14682393
Methyl 6,11,11,14-tetramethyl-7-oxotetracyclo[7.6.0.01,5.010,14]pentadec-5-ene-2-carboxylate
CID 74409159
(1S,5S)-4-methoxy-5,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 124669166

Frequently Asked Questions

What is the IUPAC name of (1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one?
The IUPAC name of (1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one (CID 162402346) is (1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one.
What is the SMILES notation for (1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one?
The canonical SMILES for (1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one is COC1=CC(=O)C[C@]23C[C@]4(C)CCC(C)(C)[C@@H]4[C@H]2CC[C@]13C.
What is the InChIKey of (1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one?
The InChIKey is MZAOEABZGMLGIA-MKFRZFLASA-N. The full InChI is InChI=1S/C20H30O2/c1-17(2)8-9-18(3)12-20-11-13(21)10-15(22-5)19(20,4)7-6-14(20)16(17)18/h10,14,16H,6-9,11-12H2,1-5H3/t14-,16+,18+,19-,20+/m1/s1.
What are the key properties of (1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one?
(1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one has a molecular weight of 302.46 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one is sourced from PubChem (CID 162402346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).