(2R,5R,8S,11R)-11-methoxy-2,6,6,8-tetramethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane

C19H32O — CID 134775196

IUPAC(2R,5R,8S,11R)-11-methoxy-2,6,6,8-tetramethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane
SMILESC=CC[C@@]1(C)CCC2C(C)(C)C[C@]3(C)CC[C@@H](OC)C213
InChIInChI=1S/C19H32O/c1-7-10-17(4)11-8-14-16(2,3)13-18(5)12-9-15(20-6)19(14,17)18/h7,14-15H,1,8-13H2,2-6H3/t14?,15-,17+,18+,19?/m1/s1
InChIKeyWBPMONJNDURAQM-HBMAJHCESA-N
MW276.46 g/mol
LogP5.21
Rot. Bonds3

About (2R,5R,8S,11R)-11-methoxy-2,6,6,8-tetramethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane

(2R,5R,8S,11R)-11-methoxy-2,6,6,8-tetramethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane (PubChem CID 134775196) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is (2R,5R,8S,11R)-11-methoxy-2,6,6,8-tetramethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane.

Molecular Properties

Compound Name(2R,5R,8S,11R)-11-methoxy-2,6,6,8-tetramethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane
PubChem CID134775196
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name(2R,5R,8S,11R)-11-methoxy-2,6,6,8-tetramethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane
SMILESC=CC[C@@]1(C)CCC2C(C)(C)C[C@]3(C)CC[C@@H](OC)C213
InChIInChI=1S/C19H32O/c1-7-10-17(4)11-8-14-16(2,3)13-18(5)12-9-15(20-6)19(14,17)18/h7,14-15H,1,8-13H2,2-6H3/t14?,15-,17+,18+,19?/m1/s1
InChIKeyWBPMONJNDURAQM-HBMAJHCESA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2R,5R,8S,11R)-11-methoxy-2,6,6,8-tetramethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane?
The IUPAC name of (2R,5R,8S,11R)-11-methoxy-2,6,6,8-tetramethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane (CID 134775196) is (2R,5R,8S,11R)-11-methoxy-2,6,6,8-tetramethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane.
What is the SMILES notation for (2R,5R,8S,11R)-11-methoxy-2,6,6,8-tetramethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane?
The canonical SMILES for (2R,5R,8S,11R)-11-methoxy-2,6,6,8-tetramethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane is C=CC[C@@]1(C)CCC2C(C)(C)C[C@]3(C)CC[C@@H](OC)C213.
What is the InChIKey of (2R,5R,8S,11R)-11-methoxy-2,6,6,8-tetramethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane?
The InChIKey is WBPMONJNDURAQM-HBMAJHCESA-N. The full InChI is InChI=1S/C19H32O/c1-7-10-17(4)11-8-14-16(2,3)13-18(5)12-9-15(20-6)19(14,17)18/h7,14-15H,1,8-13H2,2-6H3/t14?,15-,17+,18+,19?/m1/s1.
What are the key properties of (2R,5R,8S,11R)-11-methoxy-2,6,6,8-tetramethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane?
(2R,5R,8S,11R)-11-methoxy-2,6,6,8-tetramethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane has a molecular weight of 276.46 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,8S,11R)-11-methoxy-2,6,6,8-tetramethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane is sourced from PubChem (CID 134775196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).