9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol

C15H26O3 — CID 162973711

IUPAC9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol
SMILESCC1(C)CCCC2(C)C3C(O)CC2(CO)C(O)C31
InChIInChI=1S/C15H26O3/c1-13(2)5-4-6-14(3)10-9(17)7-15(14,8-16)12(18)11(10)13/h9-12,16-18H,4-8H2,1-3H3
InChIKeyCQDABUCMSTZACG-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.55
Rot. Bonds1

About 9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol

9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol (PubChem CID 162973711) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol.

Molecular Properties

Compound Name9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol
PubChem CID162973711
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol
SMILESCC1(C)CCCC2(C)C3C(O)CC2(CO)C(O)C31
InChIInChI=1S/C15H26O3/c1-13(2)5-4-6-14(3)10-9(17)7-15(14,8-16)12(18)11(10)13/h9-12,16-18H,4-8H2,1-3H3
InChIKeyCQDABUCMSTZACG-UHFFFAOYSA-N
XLogP1.55
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol
CID 101316913
(1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol
CID 98050236
(1R,4R,4aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol
CID 11368827
(4S,4aS,8aS)-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol
CID 154790821
(1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one
CID 162623234
(1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol
CID 139591338
(1R,4R,4aS,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol
CID 10643760
(1R,2R,4aS,8aS)-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,2-diol
CID 11219065
(1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one
CID 15546633
2-[(3aS,7aS)-2,7,7-trimethyl-4,5,6,7a-tetrahydro-3H-inden-3a-yl]acetic acid
CID 11160387
(1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol
CID 130762528
(1R,2R,7R,8S,9S,10R)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane
CID 138394874

Frequently Asked Questions

What is the IUPAC name of 9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol?
The IUPAC name of 9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol (CID 162973711) is 9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol.
What is the SMILES notation for 9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol?
The canonical SMILES for 9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol is CC1(C)CCCC2(C)C3C(O)CC2(CO)C(O)C31.
What is the InChIKey of 9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol?
The InChIKey is CQDABUCMSTZACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-13(2)5-4-6-14(3)10-9(17)7-15(14,8-16)12(18)11(10)13/h9-12,16-18H,4-8H2,1-3H3.
What are the key properties of 9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol?
9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol has a molecular weight of 254.37 g/mol, XLogP of 1.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol is sourced from PubChem (CID 162973711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).