2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol

C15H24O — CID 534645

IUPAC2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol
SMILESC=C1C(O)CC2CC13C(C)(C)CCCC23C
InChIInChI=1S/C15H24O/c1-10-12(16)8-11-9-15(10)13(2,3)6-5-7-14(11,15)4/h11-12,16H,1,5-9H2,2-4H3
InChIKeyQZIBYWPRLPFUFP-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.53
Rot. Bonds

About 2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol

2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol (PubChem CID 534645) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol.

Molecular Properties

Compound Name2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol
PubChem CID534645
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol
SMILESC=C1C(O)CC2CC13C(C)(C)CCCC23C
InChIInChI=1S/C15H24O/c1-10-12(16)8-11-9-15(10)13(2,3)6-5-7-14(11,15)4/h11-12,16H,1,5-9H2,2-4H3
InChIKeyQZIBYWPRLPFUFP-UHFFFAOYSA-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'}

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Related Compounds

(1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one
CID 15546633
[(1S,2S,6S,7S,9S,11S)-9-hydroxy-1,2,6-trimethyl-8-methylidene-11-tricyclo[5.3.1.02,6]undecanyl] acetate
CID 11055014
(1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol
CID 10988274
(1S,2S,6R,8S,9S,10R)-2,6,8,9-tetramethyltricyclo[6.3.1.02,6]dodecane-9,10-diol
CID 10243947
(1S,3aR,7aS)-4,4,7a-trimethyl-2-methylidene-1,3,3a,5,6,7-hexahydroinden-1-ol
CID 130977926
(1aS,4aS,6R,7aR,7bR)-3,3,7b-trimethyl-5-methylidene-1,1a,2,4,4a,6,7,7a-octahydrocyclopropa[e]azulen-6-ol
CID 162968973
4,4,7,11-tetramethyltetracyclo[5.5.0.01,11.02,6]dodecan-12-ol
CID 166036441
3-[(3aS,6R,7aS)-2-hydroxy-6-methyl-3-methylidene-4-oxo-1,2,5,6,7,7a-hexahydroinden-3a-yl]propanal
CID 138982414
(1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol
CID 101316913
(10R)-2,6,6-trimethyl-9-methylidenetricyclo[5.4.0.02,8]undecan-10-ol
CID 91748036
1,1,7,9a-tetramethyl-2,3,4,6,8,9-hexahydrobenzo[7]annulene-6,7-diol
CID 162943589
(1S,3S,5R,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol
CID 118944899

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol?
The IUPAC name of 2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol (CID 534645) is 2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol.
What is the SMILES notation for 2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol?
The canonical SMILES for 2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol is C=C1C(O)CC2CC13C(C)(C)CCCC23C.
What is the InChIKey of 2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol?
The InChIKey is QZIBYWPRLPFUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10-12(16)8-11-9-15(10)13(2,3)6-5-7-14(11,15)4/h11-12,16H,1,5-9H2,2-4H3.
What are the key properties of 2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol?
2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-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 2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol is sourced from PubChem (CID 534645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).