(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

C14H22O3 — CID 163358966

IUPAC(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
SMILESC=C(CO)[C@@H]1C[C@@H]2[C@H]3C[C@@H](O)[C@H](O)[C@@H](C)[C@@]23C1
InChIInChI=1S/C14H22O3/c1-7(6-15)9-3-10-11-4-12(16)13(17)8(2)14(10,11)5-9/h8-13,15-17H,1,3-6H2,2H3/t8-,9-,10-,11-,12-,13-,14+/m1/s1
InChIKeyAIZWGRSMWNJPSB-UAZQNFISSA-N
MW238.33 g/mol
LogP0.94
Rot. Bonds2

About (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

(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 (PubChem CID 163358966) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID163358966
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(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
SMILESC=C(CO)[C@@H]1C[C@@H]2[C@H]3C[C@@H](O)[C@H](O)[C@@H](C)[C@@]23C1
InChIInChI=1S/C14H22O3/c1-7(6-15)9-3-10-11-4-12(16)13(17)8(2)14(10,11)5-9/h8-13,15-17H,1,3-6H2,2H3/t8-,9-,10-,11-,12-,13-,14+/m1/s1
InChIKeyAIZWGRSMWNJPSB-UAZQNFISSA-N
XLogP0.94
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (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 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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(CO)[C@@H]1C[C@@H]2[C@H]3C[C@@H](O)[C@H](O)[C@@H](C)[C@@]23C1.
What is the InChIKey of (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?
The InChIKey is AIZWGRSMWNJPSB-UAZQNFISSA-N. The full InChI is InChI=1S/C14H22O3/c1-7(6-15)9-3-10-11-4-12(16)13(17)8(2)14(10,11)5-9/h8-13,15-17H,1,3-6H2,2H3/t8-,9-,10-,11-,12-,13-,14+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 238.33 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 163358966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).