(1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol

C15H26O — CID 162623237

IUPAC(1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol
SMILESCC1(C)CCC[C@]2(C)[C@H]3CC[C@]2(C)[C@H](O)[C@H]31
InChIInChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-6-9-15(14,4)12(16)11(10)13/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14+,15+/m0/s1
InChIKeyMNNFKQAYXGEKFA-CWFCOSEVSA-N
MW222.37 g/mol
LogP3.61
Rot. Bonds

About (1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol

(1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol (PubChem CID 162623237) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol.

Molecular Properties

Compound Name(1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol
PubChem CID162623237
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol
SMILESCC1(C)CCC[C@]2(C)[C@H]3CC[C@]2(C)[C@H](O)[C@H]31
InChIInChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-6-9-15(14,4)12(16)11(10)13/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14+,15+/m0/s1
InChIKeyMNNFKQAYXGEKFA-CWFCOSEVSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol with MolForge

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Related Compounds

Borneol
CID 64685
Isoborneol
CID 6321405
D-Borneol
CID 6552009
Fenchol
CID 15406
Borneol, (-)-
CID 1201518
(+)-Fenchol
CID 6997371
2-Ethyl-1,3,3-trimethylbicyclo(2.2.1)heptan-2-ol
CID 106997
(-)-alpha-Fenchol
CID 439711
2-Methylisoborneol
CID 11062802
alpha-Caryophyllene alcohol
CID 521185
2-Bornanol, 2-methyl-
CID 16913
beta-Fenchyl alcohol
CID 6973643

Frequently Asked Questions

What is the IUPAC name of (1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol?
The IUPAC name of (1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol (CID 162623237) is (1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol.
What is the SMILES notation for (1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol?
The canonical SMILES for (1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol is CC1(C)CCC[C@]2(C)[C@H]3CC[C@]2(C)[C@H](O)[C@H]31.
What is the InChIKey of (1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol?
The InChIKey is MNNFKQAYXGEKFA-CWFCOSEVSA-N. The full InChI is InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-6-9-15(14,4)12(16)11(10)13/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14+,15+/m0/s1.
What are the key properties of (1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol?
(1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol has a molecular weight of 222.37 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol is sourced from PubChem (CID 162623237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).