(1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol

C15H24O2 — CID 102519764

IUPAC(1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol
SMILESCC1(C)[C@]2(O)CC[C@@]1(C)C1=CC[C@@](C)(O)[C@@H]1C2
InChIInChI=1S/C15H24O2/c1-12(2)13(3)7-8-15(12,17)9-11-10(13)5-6-14(11,4)16/h5,11,16-17H,6-9H2,1-4H3/t11-,13+,14-,15+/m1/s1
InChIKeyCACULIXBSFBBKT-BEAPCOKYSA-N
MW236.35 g/mol
LogP2.64
Rot. Bonds

About (1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol

(1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol (PubChem CID 102519764) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol.

Molecular Properties

Compound Name(1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol
PubChem CID102519764
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol
SMILESCC1(C)[C@]2(O)CC[C@@]1(C)C1=CC[C@@](C)(O)[C@@H]1C2
InChIInChI=1S/C15H24O2/c1-12(2)13(3)7-8-15(12,17)9-11-10(13)5-6-14(11,4)16/h5,11,16-17H,6-9H2,1-4H3/t11-,13+,14-,15+/m1/s1
InChIKeyCACULIXBSFBBKT-BEAPCOKYSA-N
XLogP2.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol?
The IUPAC name of (1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol (CID 102519764) is (1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol.
What is the SMILES notation for (1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol?
The canonical SMILES for (1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol is CC1(C)[C@]2(O)CC[C@@]1(C)C1=CC[C@@](C)(O)[C@@H]1C2.
What is the InChIKey of (1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol?
The InChIKey is CACULIXBSFBBKT-BEAPCOKYSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)13(3)7-8-15(12,17)9-11-10(13)5-6-14(11,4)16/h5,11,16-17H,6-9H2,1-4H3/t11-,13+,14-,15+/m1/s1.
What are the key properties of (1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol?
(1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol has a molecular weight of 236.35 g/mol, XLogP of 2.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol is sourced from PubChem (CID 102519764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).