(1R,3R,8S)-2,2,8-trimethyl-6-methylidenetricyclo[5.3.1.03,8]undecan-3-ol

C15H24O — CID 11053193

IUPAC(1R,3R,8S)-2,2,8-trimethyl-6-methylidenetricyclo[5.3.1.03,8]undecan-3-ol
SMILESC=C1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)C1C3
InChIInChI=1S/C15H24O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h11-12,16H,1,5-9H2,2-4H3/t11-,12?,14+,15-/m1/s1
InChIKeyLUJMQFCROVAQBP-WTPWXPRHSA-N
MW220.36 g/mol
LogP3.53
Rot. Bonds

About (1R,3R,8S)-2,2,8-trimethyl-6-methylidenetricyclo[5.3.1.03,8]undecan-3-ol

(1R,3R,8S)-2,2,8-trimethyl-6-methylidenetricyclo[5.3.1.03,8]undecan-3-ol (PubChem CID 11053193) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,3R,8S)-2,2,8-trimethyl-6-methylidenetricyclo[5.3.1.03,8]undecan-3-ol.

Molecular Properties

Compound Name(1R,3R,8S)-2,2,8-trimethyl-6-methylidenetricyclo[5.3.1.03,8]undecan-3-ol
PubChem CID11053193
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,3R,8S)-2,2,8-trimethyl-6-methylidenetricyclo[5.3.1.03,8]undecan-3-ol
SMILESC=C1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)C1C3
InChIInChI=1S/C15H24O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h11-12,16H,1,5-9H2,2-4H3/t11-,12?,14+,15-/m1/s1
InChIKeyLUJMQFCROVAQBP-WTPWXPRHSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,3R,8S)-2,2,8-trimethyl-6-methylidenetricyclo[5.3.1.03,8]undecan-3-ol with MolForge

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Related Compounds

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CID 174915941
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
6-(hydroxymethyl)-2,2,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol
CID 162979505
oxolane-2,5-dione;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174877215
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
CID 170163545
formic acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175147458
phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175476100
6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol
CID 14262022
dichloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane
CID 557323

Frequently Asked Questions

What is the IUPAC name of (1R,3R,8S)-2,2,8-trimethyl-6-methylidenetricyclo[5.3.1.03,8]undecan-3-ol?
The IUPAC name of (1R,3R,8S)-2,2,8-trimethyl-6-methylidenetricyclo[5.3.1.03,8]undecan-3-ol (CID 11053193) is (1R,3R,8S)-2,2,8-trimethyl-6-methylidenetricyclo[5.3.1.03,8]undecan-3-ol.
What is the SMILES notation for (1R,3R,8S)-2,2,8-trimethyl-6-methylidenetricyclo[5.3.1.03,8]undecan-3-ol?
The canonical SMILES for (1R,3R,8S)-2,2,8-trimethyl-6-methylidenetricyclo[5.3.1.03,8]undecan-3-ol is C=C1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)C1C3.
What is the InChIKey of (1R,3R,8S)-2,2,8-trimethyl-6-methylidenetricyclo[5.3.1.03,8]undecan-3-ol?
The InChIKey is LUJMQFCROVAQBP-WTPWXPRHSA-N. The full InChI is InChI=1S/C15H24O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h11-12,16H,1,5-9H2,2-4H3/t11-,12?,14+,15-/m1/s1.
What are the key properties of (1R,3R,8S)-2,2,8-trimethyl-6-methylidenetricyclo[5.3.1.03,8]undecan-3-ol?
(1R,3R,8S)-2,2,8-trimethyl-6-methylidenetricyclo[5.3.1.03,8]undecan-3-ol has a molecular weight of 220.36 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,8S)-2,2,8-trimethyl-6-methylidenetricyclo[5.3.1.03,8]undecan-3-ol is sourced from PubChem (CID 11053193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).