(1S,2R,5R,7R,8R,9S,10R,12R,15R)-5-(3-hydroxyprop-1-en-2-yl)-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,9,15-triol

C20H32O5 — CID 102586902

IUPAC(1S,2R,5R,7R,8R,9S,10R,12R,15R)-5-(3-hydroxyprop-1-en-2-yl)-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,9,15-triol
SMILESC=C(CO)[C@@H]1CC[C@@H]2[C@@H](C1)[C@@H](O)[C@@H](O)[C@@H]1C(C)(C)[C@H]3C[C@@H](O)[C@@]21CO3
InChIInChI=1S/C20H32O5/c1-10(8-21)11-4-5-13-12(6-11)16(23)17(24)18-19(2,3)15-7-14(22)20(13,18)9-25-15/h11-18,21-24H,1,4-9H2,2-3H3/t11-,12-,13-,14-,15-,16-,17-,18-,20-/m1/s1
InChIKeyJKPDVGJXXDUODE-QVWVHOKLSA-N
MW352.47 g/mol
LogP1.10
Rot. Bonds2

About (1S,2R,5R,7R,8R,9S,10R,12R,15R)-5-(3-hydroxyprop-1-en-2-yl)-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,9,15-triol

(1S,2R,5R,7R,8R,9S,10R,12R,15R)-5-(3-hydroxyprop-1-en-2-yl)-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,9,15-triol (PubChem CID 102586902) has the molecular formula C20H32O5 and a molecular weight of 352.47 g/mol. Its IUPAC name is (1S,2R,5R,7R,8R,9S,10R,12R,15R)-5-(3-hydroxyprop-1-en-2-yl)-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,9,15-triol.

Molecular Properties

Compound Name(1S,2R,5R,7R,8R,9S,10R,12R,15R)-5-(3-hydroxyprop-1-en-2-yl)-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,9,15-triol
PubChem CID102586902
Molecular FormulaC20H32O5
Molecular Weight352.47 g/mol
Exact Mass352.22
IUPAC Name(1S,2R,5R,7R,8R,9S,10R,12R,15R)-5-(3-hydroxyprop-1-en-2-yl)-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,9,15-triol
SMILESC=C(CO)[C@@H]1CC[C@@H]2[C@@H](C1)[C@@H](O)[C@@H](O)[C@@H]1C(C)(C)[C@H]3C[C@@H](O)[C@@]21CO3
InChIInChI=1S/C20H32O5/c1-10(8-21)11-4-5-13-12(6-11)16(23)17(24)18-19(2,3)15-7-14(22)20(13,18)9-25-15/h11-18,21-24H,1,4-9H2,2-3H3/t11-,12-,13-,14-,15-,16-,17-,18-,20-/m1/s1
InChIKeyJKPDVGJXXDUODE-QVWVHOKLSA-N
XLogP1.10
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2R,5R,7R,8R,9S,10R,12R,15R)-5-(3-hydroxyprop-1-en-2-yl)-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,9,15-triol with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-hydroxyprop-1-en-2-yl)cyclopentan-1-ol
CID 130146407
(1S,3R,5R,6R,8R,9R,10S)-3-(3-hydroxyprop-1-en-2-yl)-10-methyltricyclo[4.4.0.01,5]decane-8,9-diol
CID 163358966
(4aR,4bS,7S,8aR,10aR)-7-(3-hydroxyprop-1-en-2-yl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,8a,10,10a-decahydro-2H-phenanthren-9-one
CID 162859154
2-[(1S,2R,5R,7R,9S,10R)-9-hydroxy-11,11-dimethyl-8,15-dioxo-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecan-5-yl]prop-2-enal
CID 102586906
(2S,4aS,6R,8aS)-6-(3-hydroxyprop-1-en-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-ol
CID 102400158
[(1S,2S,5S,7S,8R,12S,13R,15R,18R)-18-hydroxy-10,10,14,14-tetramethyl-9,11,16-trioxahexacyclo[13.2.2.01,13.02,7.05,7.08,12]nonadecan-5-yl] acetate
CID 102586908
(1R,4aR,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 15837514
2-[(2R,4aS,8aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-en-1-ol
CID 162929374
2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol
CID 142148834
7-(3-hydroxyprop-1-en-2-yl)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalene-1-carbaldehyde
CID 163068555
(1R,3aS,4S,7R,8aR)-1,4-dimethyl-7-(6-methylhepta-1,5-dien-2-yl)-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-ol
CID 162846564
6-(3-hydroxyprop-1-en-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
CID 565632

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,7R,8R,9S,10R,12R,15R)-5-(3-hydroxyprop-1-en-2-yl)-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,9,15-triol?
The IUPAC name of (1S,2R,5R,7R,8R,9S,10R,12R,15R)-5-(3-hydroxyprop-1-en-2-yl)-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,9,15-triol (CID 102586902) is (1S,2R,5R,7R,8R,9S,10R,12R,15R)-5-(3-hydroxyprop-1-en-2-yl)-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,9,15-triol.
What is the SMILES notation for (1S,2R,5R,7R,8R,9S,10R,12R,15R)-5-(3-hydroxyprop-1-en-2-yl)-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,9,15-triol?
The canonical SMILES for (1S,2R,5R,7R,8R,9S,10R,12R,15R)-5-(3-hydroxyprop-1-en-2-yl)-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,9,15-triol is C=C(CO)[C@@H]1CC[C@@H]2[C@@H](C1)[C@@H](O)[C@@H](O)[C@@H]1C(C)(C)[C@H]3C[C@@H](O)[C@@]21CO3.
What is the InChIKey of (1S,2R,5R,7R,8R,9S,10R,12R,15R)-5-(3-hydroxyprop-1-en-2-yl)-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,9,15-triol?
The InChIKey is JKPDVGJXXDUODE-QVWVHOKLSA-N. The full InChI is InChI=1S/C20H32O5/c1-10(8-21)11-4-5-13-12(6-11)16(23)17(24)18-19(2,3)15-7-14(22)20(13,18)9-25-15/h11-18,21-24H,1,4-9H2,2-3H3/t11-,12-,13-,14-,15-,16-,17-,18-,20-/m1/s1.
What are the key properties of (1S,2R,5R,7R,8R,9S,10R,12R,15R)-5-(3-hydroxyprop-1-en-2-yl)-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,9,15-triol?
(1S,2R,5R,7R,8R,9S,10R,12R,15R)-5-(3-hydroxyprop-1-en-2-yl)-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,9,15-triol has a molecular weight of 352.47 g/mol, XLogP of 1.10, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,7R,8R,9S,10R,12R,15R)-5-(3-hydroxyprop-1-en-2-yl)-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,9,15-triol is sourced from PubChem (CID 102586902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).