3-[(2R,5R,8R)-11-methoxy-2,6,6,8-tetramethyl-2-tricyclo[6.3.0.01,5]undecanyl]propan-1-ol

C19H34O2 — CID 134771763

IUPAC3-[(2R,5R,8R)-11-methoxy-2,6,6,8-tetramethyl-2-tricyclo[6.3.0.01,5]undecanyl]propan-1-ol
SMILESCOC1CC[C@]2(C)CC(C)(C)C3CC[C@](C)(CCCO)C132
InChIInChI=1S/C19H34O2/c1-16(2)13-18(4)11-8-15(21-5)19(18)14(16)7-10-17(19,3)9-6-12-20/h14-15,20H,6-13H2,1-5H3/t14?,15?,17-,18+,19?/m0/s1
InChIKeyUVAHUFINWOHERU-AVUYLXJFSA-N
MW294.48 g/mol
LogP4.41
Rot. Bonds4

About 3-[(2R,5R,8R)-11-methoxy-2,6,6,8-tetramethyl-2-tricyclo[6.3.0.01,5]undecanyl]propan-1-ol

3-[(2R,5R,8R)-11-methoxy-2,6,6,8-tetramethyl-2-tricyclo[6.3.0.01,5]undecanyl]propan-1-ol (PubChem CID 134771763) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 3-[(2R,5R,8R)-11-methoxy-2,6,6,8-tetramethyl-2-tricyclo[6.3.0.01,5]undecanyl]propan-1-ol.

Molecular Properties

Compound Name3-[(2R,5R,8R)-11-methoxy-2,6,6,8-tetramethyl-2-tricyclo[6.3.0.01,5]undecanyl]propan-1-ol
PubChem CID134771763
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name3-[(2R,5R,8R)-11-methoxy-2,6,6,8-tetramethyl-2-tricyclo[6.3.0.01,5]undecanyl]propan-1-ol
SMILESCOC1CC[C@]2(C)CC(C)(C)C3CC[C@](C)(CCCO)C132
InChIInChI=1S/C19H34O2/c1-16(2)13-18(4)11-8-15(21-5)19(18)14(16)7-10-17(19,3)9-6-12-20/h14-15,20H,6-13H2,1-5H3/t14?,15?,17-,18+,19?/m0/s1
InChIKeyUVAHUFINWOHERU-AVUYLXJFSA-N
XLogP4.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,3S,5S,7R,8R,10S,12R,13R,16R)-2,6,6,12-tetramethyltetracyclo[8.5.1.03,7.013,16]hexadecane-2,5,7,8,10,12-hexol
CID 154496830
(2S,3R,3aS,3bS,6aS,7aS)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol
CID 14487977
Ent-Gloeosteretriol
CID 10800959
Kalmanol
CID 101607756
Ceratopicanol
CID 11831043
(2S,3S,3aS,3bR,6aS,7S,7aR)-2,3,3a,5,5-pentamethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-7-ol
CID 139584314
Gloeosteretriol
CID 132365
(-)-Cameroonan-7alpha-ol
CID 91748571
(1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol
CID 10846702
Npc164105
CID 189600
(1S,3aS,3bR,6aR,7aR)-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-1-ol
CID 11368055
(1S,3aS,3bR,6aR,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-4-ol
CID 11595524

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5R,8R)-11-methoxy-2,6,6,8-tetramethyl-2-tricyclo[6.3.0.01,5]undecanyl]propan-1-ol?
The IUPAC name of 3-[(2R,5R,8R)-11-methoxy-2,6,6,8-tetramethyl-2-tricyclo[6.3.0.01,5]undecanyl]propan-1-ol (CID 134771763) is 3-[(2R,5R,8R)-11-methoxy-2,6,6,8-tetramethyl-2-tricyclo[6.3.0.01,5]undecanyl]propan-1-ol.
What is the SMILES notation for 3-[(2R,5R,8R)-11-methoxy-2,6,6,8-tetramethyl-2-tricyclo[6.3.0.01,5]undecanyl]propan-1-ol?
The canonical SMILES for 3-[(2R,5R,8R)-11-methoxy-2,6,6,8-tetramethyl-2-tricyclo[6.3.0.01,5]undecanyl]propan-1-ol is COC1CC[C@]2(C)CC(C)(C)C3CC[C@](C)(CCCO)C132.
What is the InChIKey of 3-[(2R,5R,8R)-11-methoxy-2,6,6,8-tetramethyl-2-tricyclo[6.3.0.01,5]undecanyl]propan-1-ol?
The InChIKey is UVAHUFINWOHERU-AVUYLXJFSA-N. The full InChI is InChI=1S/C19H34O2/c1-16(2)13-18(4)11-8-15(21-5)19(18)14(16)7-10-17(19,3)9-6-12-20/h14-15,20H,6-13H2,1-5H3/t14?,15?,17-,18+,19?/m0/s1.
What are the key properties of 3-[(2R,5R,8R)-11-methoxy-2,6,6,8-tetramethyl-2-tricyclo[6.3.0.01,5]undecanyl]propan-1-ol?
3-[(2R,5R,8R)-11-methoxy-2,6,6,8-tetramethyl-2-tricyclo[6.3.0.01,5]undecanyl]propan-1-ol has a molecular weight of 294.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,5R,8R)-11-methoxy-2,6,6,8-tetramethyl-2-tricyclo[6.3.0.01,5]undecanyl]propan-1-ol is sourced from PubChem (CID 134771763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).