(1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol

C15H24O3 — CID 163048540

IUPAC(1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol
SMILESC=C1C2[C@@H](O)[C@H]3[C@@H]([C@H]2O)[C@]1(C)CC[C@H]3C(C)(C)O
InChIInChI=1S/C15H24O3/c1-7-9-12(16)10-8(14(2,3)18)5-6-15(7,4)11(10)13(9)17/h8-13,16-18H,1,5-6H2,2-4H3/t8-,9?,10-,11+,12-,13+,15-/m1/s1
InChIKeyZAMMUPBTBWXWKL-HGGFBAPYSA-N
MW252.35 g/mol
LogP1.33
Rot. Bonds1

About (1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol

(1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol (PubChem CID 163048540) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol.

Molecular Properties

Compound Name(1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol
PubChem CID163048540
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol
SMILESC=C1C2[C@@H](O)[C@H]3[C@@H]([C@H]2O)[C@]1(C)CC[C@H]3C(C)(C)O
InChIInChI=1S/C15H24O3/c1-7-9-12(16)10-8(14(2,3)18)5-6-15(7,4)11(10)13(9)17/h8-13,16-18H,1,5-6H2,2-4H3/t8-,9?,10-,11+,12-,13+,15-/m1/s1
InChIKeyZAMMUPBTBWXWKL-HGGFBAPYSA-N
XLogP1.33
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol with MolForge

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Related Compounds

Camphenol, 6-
CID 526611
Seiricardine A
CID 183116
(1S,2R,3R,4S,7R,8S,9S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol
CID 5478956
6-Camphenol
CID 180537
Grayanotox-10-ene-3,5,14,16-tetrol
CID 3042241
3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol
CID 3508973
7-Methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol
CID 14165724
Isosativenediol
CID 131855299
(4R)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol
CID 139583258
Isosativenetriol
CID 139584206
(1R,2R,3R,4R,7S,8R,9R)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol
CID 162995405
(1R,6R,7S,10S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane-6,10-diol
CID 172441678

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol?
The IUPAC name of (1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol (CID 163048540) is (1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol.
What is the SMILES notation for (1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol?
The canonical SMILES for (1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol is C=C1C2[C@@H](O)[C@H]3[C@@H]([C@H]2O)[C@]1(C)CC[C@H]3C(C)(C)O.
What is the InChIKey of (1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol?
The InChIKey is ZAMMUPBTBWXWKL-HGGFBAPYSA-N. The full InChI is InChI=1S/C15H24O3/c1-7-9-12(16)10-8(14(2,3)18)5-6-15(7,4)11(10)13(9)17/h8-13,16-18H,1,5-6H2,2-4H3/t8-,9?,10-,11+,12-,13+,15-/m1/s1.
What are the key properties of (1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol?
(1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol has a molecular weight of 252.35 g/mol, XLogP of 1.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,4R,7S,8R,9R)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol is sourced from PubChem (CID 163048540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).