(1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol

C15H24O — CID 133083101

IUPAC(1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol
SMILESC=C1[C@H](O)C[C@@]23C[C@@H]1C(C)(C)[C@H]2CC[C@@H]3C
InChIInChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9,11-13,16H,2,5-8H2,1,3-4H3/t9-,11-,12+,13+,15+/m0/s1
InChIKeyDJYWGTBEZVORGE-IGMMHVEYSA-N
MW220.36 g/mol
LogP3.39
Rot. Bonds

About (1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol

(1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol (PubChem CID 133083101) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol.

Molecular Properties

Compound Name(1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol
PubChem CID133083101
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol
SMILESC=C1[C@H](O)C[C@@]23C[C@@H]1C(C)(C)[C@H]2CC[C@@H]3C
InChIInChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9,11-13,16H,2,5-8H2,1,3-4H3/t9-,11-,12+,13+,15+/m0/s1
InChIKeyDJYWGTBEZVORGE-IGMMHVEYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol with MolForge

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Related Compounds

(1S,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol
CID 67218234
methanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane
CID 517651
(1R,3aR,5S,6R,7aR)-7a-ethyl-1,4,4-trimethyl-2,3,3a,5,6,7-hexahydro-1H-indene-5,6-diol
CID 129073791
(1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 150596922
(1S,2S,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 1201552
1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone
CID 67678962
propan-2-one;2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 67218541
(1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane
CID 98154257
2-[[(1S,2R,5S,7R,8S)-2,6,6,8,9-pentamethyl-8-tricyclo[5.3.1.01,5]undecanyl]oxy]propan-2-ol
CID 142623863
(1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 88565069
(1R,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol
CID 146158844
(1R,3S,7S,8S,10S,13S)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 168844007

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol?
The IUPAC name of (1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol (CID 133083101) is (1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol.
What is the SMILES notation for (1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol?
The canonical SMILES for (1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol is C=C1[C@H](O)C[C@@]23C[C@@H]1C(C)(C)[C@H]2CC[C@@H]3C.
What is the InChIKey of (1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol?
The InChIKey is DJYWGTBEZVORGE-IGMMHVEYSA-N. The full InChI is InChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9,11-13,16H,2,5-8H2,1,3-4H3/t9-,11-,12+,13+,15+/m0/s1.
What are the key properties of (1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol?
(1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol has a molecular weight of 220.36 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol is sourced from PubChem (CID 133083101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).