(1S,2S,5S,7S,10R,11S,13S,14S)-5-hydroxy-2,14-dimethyltetracyclo[8.6.0.02,7.011,14]hexadecane-13-carboxylic acid

C19H30O3 — CID 24982141

IUPAC(1S,2S,5S,7S,10R,11S,13S,14S)-5-hydroxy-2,14-dimethyltetracyclo[8.6.0.02,7.011,14]hexadecane-13-carboxylic acid
SMILESC[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)O)C[C@@H]12
InChIInChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(19)17(21)22/h11-16,20H,3-10H2,1-2H3,(H,21,22)/t11-,12-,13+,14-,15-,16+,18-,19-/m0/s1
InChIKeyRQBKBIKJUFWGDW-JUAXIXHSSA-N
MW306.45 g/mol
LogP3.70
Rot. Bonds1

About (1S,2S,5S,7S,10R,11S,13S,14S)-5-hydroxy-2,14-dimethyltetracyclo[8.6.0.02,7.011,14]hexadecane-13-carboxylic acid

(1S,2S,5S,7S,10R,11S,13S,14S)-5-hydroxy-2,14-dimethyltetracyclo[8.6.0.02,7.011,14]hexadecane-13-carboxylic acid (PubChem CID 24982141) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is (1S,2S,5S,7S,10R,11S,13S,14S)-5-hydroxy-2,14-dimethyltetracyclo[8.6.0.02,7.011,14]hexadecane-13-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,5S,7S,10R,11S,13S,14S)-5-hydroxy-2,14-dimethyltetracyclo[8.6.0.02,7.011,14]hexadecane-13-carboxylic acid
PubChem CID24982141
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name(1S,2S,5S,7S,10R,11S,13S,14S)-5-hydroxy-2,14-dimethyltetracyclo[8.6.0.02,7.011,14]hexadecane-13-carboxylic acid
SMILESC[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)O)C[C@@H]12
InChIInChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(19)17(21)22/h11-16,20H,3-10H2,1-2H3,(H,21,22)/t11-,12-,13+,14-,15-,16+,18-,19-/m0/s1
InChIKeyRQBKBIKJUFWGDW-JUAXIXHSSA-N
XLogP3.70
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S,5S,7S,10R,11S,13S,14S)-5-hydroxy-2,14-dimethyltetracyclo[8.6.0.02,7.011,14]hexadecane-13-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S,7S,10R,11S,13S,14S)-5-hydroxy-2,14-dimethyltetracyclo[8.6.0.02,7.011,14]hexadecane-13-carboxylic acid?
The IUPAC name of (1S,2S,5S,7S,10R,11S,13S,14S)-5-hydroxy-2,14-dimethyltetracyclo[8.6.0.02,7.011,14]hexadecane-13-carboxylic acid (CID 24982141) is (1S,2S,5S,7S,10R,11S,13S,14S)-5-hydroxy-2,14-dimethyltetracyclo[8.6.0.02,7.011,14]hexadecane-13-carboxylic acid.
What is the SMILES notation for (1S,2S,5S,7S,10R,11S,13S,14S)-5-hydroxy-2,14-dimethyltetracyclo[8.6.0.02,7.011,14]hexadecane-13-carboxylic acid?
The canonical SMILES for (1S,2S,5S,7S,10R,11S,13S,14S)-5-hydroxy-2,14-dimethyltetracyclo[8.6.0.02,7.011,14]hexadecane-13-carboxylic acid is C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)O)C[C@@H]12.
What is the InChIKey of (1S,2S,5S,7S,10R,11S,13S,14S)-5-hydroxy-2,14-dimethyltetracyclo[8.6.0.02,7.011,14]hexadecane-13-carboxylic acid?
The InChIKey is RQBKBIKJUFWGDW-JUAXIXHSSA-N. The full InChI is InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(19)17(21)22/h11-16,20H,3-10H2,1-2H3,(H,21,22)/t11-,12-,13+,14-,15-,16+,18-,19-/m0/s1.
What are the key properties of (1S,2S,5S,7S,10R,11S,13S,14S)-5-hydroxy-2,14-dimethyltetracyclo[8.6.0.02,7.011,14]hexadecane-13-carboxylic acid?
(1S,2S,5S,7S,10R,11S,13S,14S)-5-hydroxy-2,14-dimethyltetracyclo[8.6.0.02,7.011,14]hexadecane-13-carboxylic acid has a molecular weight of 306.45 g/mol, XLogP of 3.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S,7S,10R,11S,13S,14S)-5-hydroxy-2,14-dimethyltetracyclo[8.6.0.02,7.011,14]hexadecane-13-carboxylic acid is sourced from PubChem (CID 24982141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).