(2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one

C21H34O2 — CID 10236671

IUPAC(2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one
SMILESC[C@H]1[C@H](O)CC(=O)[C@]2(C)CC[C@@]3(C)C4C(C)(C)CC[C@]4(C)CC123
InChIInChI=1S/C21H34O2/c1-13-14(22)11-15(23)19(5)9-10-20(6)16-17(2,3)7-8-18(16,4)12-21(13,19)20/h13-14,16,22H,7-12H2,1-6H3/t13-,14+,16?,18+,19-,20-,21?/m0/s1
InChIKeyMRYWJMPPFPQFKC-WPEYFLMISA-N
MW318.50 g/mol
LogP4.60
Rot. Bonds

About (2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one

(2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one (PubChem CID 10236671) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is (2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one.

Molecular Properties

Compound Name(2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one
PubChem CID10236671
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name(2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one
SMILESC[C@H]1[C@H](O)CC(=O)[C@]2(C)CC[C@@]3(C)C4C(C)(C)CC[C@]4(C)CC123
InChIInChI=1S/C21H34O2/c1-13-14(22)11-15(23)19(5)9-10-20(6)16-17(2,3)7-8-18(16,4)12-21(13,19)20/h13-14,16,22H,7-12H2,1-6H3/t13-,14+,16?,18+,19-,20-,21?/m0/s1
InChIKeyMRYWJMPPFPQFKC-WPEYFLMISA-N
XLogP4.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one?
The IUPAC name of (2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one (CID 10236671) is (2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one.
What is the SMILES notation for (2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one?
The canonical SMILES for (2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one is C[C@H]1[C@H](O)CC(=O)[C@]2(C)CC[C@@]3(C)C4C(C)(C)CC[C@]4(C)CC123.
What is the InChIKey of (2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one?
The InChIKey is MRYWJMPPFPQFKC-WPEYFLMISA-N. The full InChI is InChI=1S/C21H34O2/c1-13-14(22)11-15(23)19(5)9-10-20(6)16-17(2,3)7-8-18(16,4)12-21(13,19)20/h13-14,16,22H,7-12H2,1-6H3/t13-,14+,16?,18+,19-,20-,21?/m0/s1.
What are the key properties of (2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one?
(2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one has a molecular weight of 318.50 g/mol, XLogP of 4.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one is sourced from PubChem (CID 10236671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).