(1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol

C15H26O — CID 42608184

IUPAC(1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol
SMILESC[C@H]1CC[C@@H]2C(C)(C)[C@@](C)(O)C3CC[C@@]21C3
InChIInChI=1S/C15H26O/c1-10-5-6-12-13(2,3)14(4,16)11-7-8-15(10,12)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11?,12+,14-,15-/m0/s1
InChIKeyIJVXAOHQRPSJDV-RVFCECRWSA-N
MW222.37 g/mol
LogP3.61
Rot. Bonds

About (1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol

(1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol (PubChem CID 42608184) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol.

Molecular Properties

Compound Name(1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol
PubChem CID42608184
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol
SMILESC[C@H]1CC[C@@H]2C(C)(C)[C@@](C)(O)C3CC[C@@]21C3
InChIInChI=1S/C15H26O/c1-10-5-6-12-13(2,3)14(4,16)11-7-8-15(10,12)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11?,12+,14-,15-/m0/s1
InChIKeyIJVXAOHQRPSJDV-RVFCECRWSA-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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol?
The IUPAC name of (1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol (CID 42608184) is (1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol.
What is the SMILES notation for (1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol?
The canonical SMILES for (1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol is C[C@H]1CC[C@@H]2C(C)(C)[C@@](C)(O)C3CC[C@@]21C3.
What is the InChIKey of (1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol?
The InChIKey is IJVXAOHQRPSJDV-RVFCECRWSA-N. The full InChI is InChI=1S/C15H26O/c1-10-5-6-12-13(2,3)14(4,16)11-7-8-15(10,12)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11?,12+,14-,15-/m0/s1.
What are the key properties of (1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol?
(1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-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,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol is sourced from PubChem (CID 42608184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).