[(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol

C14H22O2 — CID 163049441

IUPAC[(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol
SMILESC=C1C2[C@@H](CO)[C@H]3CCC[C@]1(C)[C@H]3[C@@H]2OC
InChIInChI=1S/C14H22O2/c1-8-11-10(7-15)9-5-4-6-14(8,2)12(9)13(11)16-3/h9-13,15H,1,4-7H2,2-3H3/t9-,10+,11?,12-,13-,14+/m1/s1
InChIKeyAIJNIJKGHUVIFA-UOHALXPSSA-N
MW222.33 g/mol
LogP2.23
Rot. Bonds2

About [(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol

[(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol (PubChem CID 163049441) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is [(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol.

Molecular Properties

Compound Name[(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol
PubChem CID163049441
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name[(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol
SMILESC=C1C2[C@@H](CO)[C@H]3CCC[C@]1(C)[C@H]3[C@@H]2OC
InChIInChI=1S/C14H22O2/c1-8-11-10(7-15)9-5-4-6-14(8,2)12(9)13(11)16-3/h9-13,15H,1,4-7H2,2-3H3/t9-,10+,11?,12-,13-,14+/m1/s1
InChIKeyAIJNIJKGHUVIFA-UOHALXPSSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(1R,3R,7S,8S,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decan-9-ol
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CID 134715067
[(1R,2S,3S,4S,6R,7R,8R,9S,10R,11R,12R,13S,14S,15S,17R,18R,19R,20S)-11,21,22-tris(hydroxymethyl)-5,16-dimethyl-10-decacyclo[18.2.2.29,12.13,18.17,14.02,19.04,17.05,16.06,15.08,13]octacosanyl]methanol
CID 10768357
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CID 130650941
[(1S,8R)-9-bicyclo[6.1.0]nonanyl]methanol
CID 130621162
(3,3-dimethylcyclohexyl)methanol
CID 14034040
[3-(hydroxymethyl)-4-[4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-4-methylcyclohexyl] acetate
CID 76726098
7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol
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(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)methanol
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(5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol?
The IUPAC name of [(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol (CID 163049441) is [(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol.
What is the SMILES notation for [(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol?
The canonical SMILES for [(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol is C=C1C2[C@@H](CO)[C@H]3CCC[C@]1(C)[C@H]3[C@@H]2OC.
What is the InChIKey of [(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol?
The InChIKey is AIJNIJKGHUVIFA-UOHALXPSSA-N. The full InChI is InChI=1S/C14H22O2/c1-8-11-10(7-15)9-5-4-6-14(8,2)12(9)13(11)16-3/h9-13,15H,1,4-7H2,2-3H3/t9-,10+,11?,12-,13-,14+/m1/s1.
What are the key properties of [(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol?
[(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol has a molecular weight of 222.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol is sourced from PubChem (CID 163049441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).