(2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene

C20H32O — CID 11822345

IUPAC(2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene
SMILESC=C(C)[C@H]1CC/C(C)=C/CC/C(C)=C/C=C(/C(C)C)CO1
InChIInChI=1S/C20H32O/c1-15(2)19-12-10-17(5)8-7-9-18(6)11-13-20(16(3)4)21-14-19/h9-10,12,15,20H,3,7-8,11,13-14H2,1-2,4-6H3/b17-10+,18-9+,19-12+/t20-/m1/s1
InChIKeyIIAYYUNNYDTZDB-JOHPJRNISA-N
MW288.48 g/mol
LogP6.00
Rot. Bonds2

About (2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene

(2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene (PubChem CID 11822345) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene.

Molecular Properties

Compound Name(2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene
PubChem CID11822345
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene
SMILESC=C(C)[C@H]1CC/C(C)=C/CC/C(C)=C/C=C(/C(C)C)CO1
InChIInChI=1S/C20H32O/c1-15(2)19-12-10-17(5)8-7-9-18(6)11-13-20(16(3)4)21-14-19/h9-10,12,15,20H,3,7-8,11,13-14H2,1-2,4-6H3/b17-10+,18-9+,19-12+/t20-/m1/s1
InChIKeyIIAYYUNNYDTZDB-JOHPJRNISA-N
XLogP6.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,5E,9Z,11E)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene
CID 10979097
[(4E,8E,10E)-4,8-dimethyl-14-methylidene-11-propan-2-ylcyclotetradeca-4,8,10-trien-1-yl] acetate
CID 23252104
(1E,5E,8R,10R)-1,5-dimethyl-8,10-bis(prop-1-en-2-yl)cyclododeca-1,5-diene
CID 14192378
(2E,6E,10E)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol
CID 13255921
1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 75094485
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 171904454
(3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol
CID 20839162
(3Z,5E,9E,13E)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol
CID 11722599
(1S,3E,7E,11E)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-ol
CID 14217911
(1R,2R,5E,7E,11E)-2,8,12-trimethyl-5-prop-1-en-2-ylcyclotetradeca-5,7,11-triene-1,2-diol
CID 162859967
(1S,2Z,4E,8S,12E)-5,13-dimethyl-9-methylidene-2-propan-2-ylcyclotetradeca-2,4,12-triene-1,8-diol
CID 14138011
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866

Frequently Asked Questions

What is the IUPAC name of (2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene?
The IUPAC name of (2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene (CID 11822345) is (2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene.
What is the SMILES notation for (2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene?
The canonical SMILES for (2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene is C=C(C)[C@H]1CC/C(C)=C/CC/C(C)=C/C=C(/C(C)C)CO1.
What is the InChIKey of (2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene?
The InChIKey is IIAYYUNNYDTZDB-JOHPJRNISA-N. The full InChI is InChI=1S/C20H32O/c1-15(2)19-12-10-17(5)8-7-9-18(6)11-13-20(16(3)4)21-14-19/h9-10,12,15,20H,3,7-8,11,13-14H2,1-2,4-6H3/b17-10+,18-9+,19-12+/t20-/m1/s1.
What are the key properties of (2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene?
(2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene has a molecular weight of 288.48 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene is sourced from PubChem (CID 11822345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).