(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

C20H30O2 — CID 162401567

IUPAC(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
SMILESC[C@H]1C=CC(=O)[C@]2(C)CC[C@H]3[C@@H]4[C@@](C)(CO)CC[C@]4(C)C[C@]132
InChIInChI=1S/C20H30O2/c1-13-5-6-15(22)19(4)8-7-14-16-17(2,11-20(13,14)19)9-10-18(16,3)12-21/h5-6,13-14,16,21H,7-12H2,1-4H3/t13-,14-,16-,17+,18+,19-,20-/m0/s1
InChIKeyWXDDMOJVZBYBSW-DPGLDVABSA-N
MW302.46 g/mol
LogP3.98
Rot. Bonds1

About (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

(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 (PubChem CID 162401567) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID162401567
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(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
SMILESC[C@H]1C=CC(=O)[C@]2(C)CC[C@H]3[C@@H]4[C@@](C)(CO)CC[C@]4(C)C[C@]132
InChIInChI=1S/C20H30O2/c1-13-5-6-15(22)19(4)8-7-14-16-17(2,11-20(13,14)19)9-10-18(16,3)12-21/h5-6,13-14,16,21H,7-12H2,1-4H3/t13-,14-,16-,17+,18+,19-,20-/m0/s1
InChIKeyWXDDMOJVZBYBSW-DPGLDVABSA-N
XLogP3.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (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 with MolForge

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Related Compounds

Conidiogenone C
CID 25194901
19alpha-hydroxyconidiogenone C
CID 156580953
Conidiogenone G
CID 25223314
Phomalairdenone C
CID 21668643
Conidiogenone F
CID 25223313
Conidiogenone E
CID 25223317
Phomalairdenone A
CID 100996461
Flammulinol A
CID 101569461
Conidiogenone D
CID 139583133
Phomalairdenone D
CID 139585417
Phomalairdenone B
CID 139587889
Conidiogenone J
CID 139591229

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H]1C=CC(=O)[C@]2(C)CC[C@H]3[C@@H]4[C@@](C)(CO)CC[C@]4(C)C[C@]132.
What is the InChIKey of (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?
The InChIKey is WXDDMOJVZBYBSW-DPGLDVABSA-N. The full InChI is InChI=1S/C20H30O2/c1-13-5-6-15(22)19(4)8-7-14-16-17(2,11-20(13,14)19)9-10-18(16,3)12-21/h5-6,13-14,16,21H,7-12H2,1-4H3/t13-,14-,16-,17+,18+,19-,20-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 302.46 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 162401567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).