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

C19H30O2 — CID 134739924

IUPAC(2R,5S,8R,11R)-11-methoxy-6,6,8-trimethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde
SMILESC=CC[C@]1(C=O)CCC2C(C)(C)C[C@@]3(C)CC[C@@H](OC)C231
InChIInChI=1S/C19H30O2/c1-6-9-18(13-20)11-7-14-16(2,3)12-17(4)10-8-15(21-5)19(14,17)18/h6,13-15H,1,7-12H2,2-5H3/t14?,15-,17-,18-,19?/m1/s1
InChIKeyIYIFJDIXWYMMOQ-AIOQGSFRSA-N
MW290.45 g/mol
LogP4.39
Rot. Bonds4

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

(2R,5S,8R,11R)-11-methoxy-6,6,8-trimethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde (PubChem CID 134739924) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (2R,5S,8R,11R)-11-methoxy-6,6,8-trimethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,5S,8R,11R)-11-methoxy-6,6,8-trimethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde
PubChem CID134739924
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(2R,5S,8R,11R)-11-methoxy-6,6,8-trimethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde
SMILESC=CC[C@]1(C=O)CCC2C(C)(C)C[C@@]3(C)CC[C@@H](OC)C231
InChIInChI=1S/C19H30O2/c1-6-9-18(13-20)11-7-14-16(2,3)12-17(4)10-8-15(21-5)19(14,17)18/h6,13-15H,1,7-12H2,2-5H3/t14?,15-,17-,18-,19?/m1/s1
InChIKeyIYIFJDIXWYMMOQ-AIOQGSFRSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5S,8R,11R)-11-methoxy-6,6,8-trimethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde?
The IUPAC name of (2R,5S,8R,11R)-11-methoxy-6,6,8-trimethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde (CID 134739924) is (2R,5S,8R,11R)-11-methoxy-6,6,8-trimethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde.
What is the SMILES notation for (2R,5S,8R,11R)-11-methoxy-6,6,8-trimethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde?
The canonical SMILES for (2R,5S,8R,11R)-11-methoxy-6,6,8-trimethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde is C=CC[C@]1(C=O)CCC2C(C)(C)C[C@@]3(C)CC[C@@H](OC)C231.
What is the InChIKey of (2R,5S,8R,11R)-11-methoxy-6,6,8-trimethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde?
The InChIKey is IYIFJDIXWYMMOQ-AIOQGSFRSA-N. The full InChI is InChI=1S/C19H30O2/c1-6-9-18(13-20)11-7-14-16(2,3)12-17(4)10-8-15(21-5)19(14,17)18/h6,13-15H,1,7-12H2,2-5H3/t14?,15-,17-,18-,19?/m1/s1.
What are the key properties of (2R,5S,8R,11R)-11-methoxy-6,6,8-trimethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde?
(2R,5S,8R,11R)-11-methoxy-6,6,8-trimethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde has a molecular weight of 290.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,8R,11R)-11-methoxy-6,6,8-trimethyl-2-prop-2-enyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde is sourced from PubChem (CID 134739924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).