(3R,6S,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,9-diol

C15H24O2 — CID 14544222

IUPAC(3R,6S,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,9-diol
SMILESCC1=C2CC(C)(C)[C@H](O)[C@H]2C[C@]2(C)CC[C@]12O
InChIInChI=1S/C15H24O2/c1-9-10-7-13(2,3)12(16)11(10)8-14(4)5-6-15(9,14)17/h11-12,16-17H,5-8H2,1-4H3/t11-,12+,14-,15-/m0/s1
InChIKeySDDDDLJOCMWSOQ-NEBZKDRISA-N
MW236.35 g/mol
LogP2.64
Rot. Bonds

About (3R,6S,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,9-diol

(3R,6S,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,9-diol (PubChem CID 14544222) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (3R,6S,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,9-diol.

Molecular Properties

Compound Name(3R,6S,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,9-diol
PubChem CID14544222
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(3R,6S,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,9-diol
SMILESCC1=C2CC(C)(C)[C@H](O)[C@H]2C[C@]2(C)CC[C@]12O
InChIInChI=1S/C15H24O2/c1-9-10-7-13(2,3)12(16)11(10)8-14(4)5-6-15(9,14)17/h11-12,16-17H,5-8H2,1-4H3/t11-,12+,14-,15-/m0/s1
InChIKeySDDDDLJOCMWSOQ-NEBZKDRISA-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 (3R,6S,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,9-diol?
The IUPAC name of (3R,6S,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,9-diol (CID 14544222) is (3R,6S,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,9-diol.
What is the SMILES notation for (3R,6S,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,9-diol?
The canonical SMILES for (3R,6S,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,9-diol is CC1=C2CC(C)(C)[C@H](O)[C@H]2C[C@]2(C)CC[C@]12O.
What is the InChIKey of (3R,6S,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,9-diol?
The InChIKey is SDDDDLJOCMWSOQ-NEBZKDRISA-N. The full InChI is InChI=1S/C15H24O2/c1-9-10-7-13(2,3)12(16)11(10)8-14(4)5-6-15(9,14)17/h11-12,16-17H,5-8H2,1-4H3/t11-,12+,14-,15-/m0/s1.
What are the key properties of (3R,6S,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,9-diol?
(3R,6S,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,9-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 (3R,6S,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,9-diol is sourced from PubChem (CID 14544222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).