2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal

C30H46O2 — CID 11328091

IUPAC2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal
SMILESC=C(C=O)[C@H]1CC/C(=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CO1
InChIInChI=1S/C30H46O2/c1-24(2)12-9-15-27(5)17-10-16-25(3)13-7-8-14-26(4)18-11-19-29-20-21-30(32-23-29)28(6)22-31/h12-14,17,19,22,30H,6-11,15-16,18,20-21,23H2,1-5H3/b25-13+,26-14+,27-17+,29-19-/t30-/m1/s1
InChIKeyMGMHHTJRNASBJX-LXAJVEIHSA-N
MW438.70 g/mol
LogP8.77
Rot. Bonds14

About 2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal

2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal (PubChem CID 11328091) has the molecular formula C30H46O2 and a molecular weight of 438.70 g/mol. Its IUPAC name is 2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal.

Molecular Properties

Compound Name2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal
PubChem CID11328091
Molecular FormulaC30H46O2
Molecular Weight438.70 g/mol
Exact Mass438.35
IUPAC Name2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal
SMILESC=C(C=O)[C@H]1CC/C(=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CO1
InChIInChI=1S/C30H46O2/c1-24(2)12-9-15-27(5)17-10-16-25(3)13-7-8-14-26(4)18-11-19-29-20-21-30(32-23-29)28(6)22-31/h12-14,17,19,22,30H,6-11,15-16,18,20-21,23H2,1-5H3/b25-13+,26-14+,27-17+,29-19-/t30-/m1/s1
InChIKeyMGMHHTJRNASBJX-LXAJVEIHSA-N
XLogP8.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal?
The IUPAC name of 2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal (CID 11328091) is 2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal.
What is the SMILES notation for 2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal?
The canonical SMILES for 2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal is C=C(C=O)[C@H]1CC/C(=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CO1.
What is the InChIKey of 2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal?
The InChIKey is MGMHHTJRNASBJX-LXAJVEIHSA-N. The full InChI is InChI=1S/C30H46O2/c1-24(2)12-9-15-27(5)17-10-16-25(3)13-7-8-14-26(4)18-11-19-29-20-21-30(32-23-29)28(6)22-31/h12-14,17,19,22,30H,6-11,15-16,18,20-21,23H2,1-5H3/b25-13+,26-14+,27-17+,29-19-/t30-/m1/s1.
What are the key properties of 2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal?
2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal has a molecular weight of 438.70 g/mol, XLogP of 8.77, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal is sourced from PubChem (CID 11328091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).