[(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate

C16H28O4 — CID 135224860

IUPAC[(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate
SMILESCO/C=C\C/C=C\CC(C)(C)OC(=O)OC(C)C(C)C
InChIInChI=1S/C16H28O4/c1-13(2)14(3)19-15(17)20-16(4,5)11-9-7-8-10-12-18-6/h7,9-10,12-14H,8,11H2,1-6H3/b9-7-,12-10-
InChIKeyQXDJBCUUFHEILK-GEHMVYPESA-N
MW284.40 g/mol
LogP4.46
Rot. Bonds8

About [(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate

[(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate (PubChem CID 135224860) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is [(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate.

Molecular Properties

Compound Name[(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate
PubChem CID135224860
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name[(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate
SMILESCO/C=C\C/C=C\CC(C)(C)OC(=O)OC(C)C(C)C
InChIInChI=1S/C16H28O4/c1-13(2)14(3)19-15(17)20-16(4,5)11-9-7-8-10-12-18-6/h7,9-10,12-14H,8,11H2,1-6H3/b9-7-,12-10-
InChIKeyQXDJBCUUFHEILK-GEHMVYPESA-N
XLogP4.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate with MolForge

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

Launch Full Analysis

Related Compounds

[(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate
CID 135224843
2-methylpentyl [(4Z,7Z,10Z)-2-methyltrideca-4,7,10-trien-2-yl] carbonate
CID 135224945
3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate
CID 134605657
[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate
CID 118177700
3-methylbutan-2-yl propan-2-yl carbonate
CID 23388328
tert-butyl 3-methylpentan-2-yl carbonate
CID 129191727
3-methylbutan-2-yl (5Z,8Z,11Z,14Z,17Z,20Z)-tricosa-5,8,11,14,17,20-hexaenoate
CID 140882591
bis(2,4-dimethylpentan-2-yl) carbonate
CID 87132187
3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate
CID 153381905
tert-butyl 3-methylhexan-2-yl carbonate
CID 130432376
2-methylhexan-2-yl 2-methylpentan-3-yl carbonate
CID 129274077
2,4-dimethylpentan-3-yl [(3Z,6Z,9Z)-dodeca-3,6,9-trienyl] carbonate
CID 140637121

Frequently Asked Questions

What is the IUPAC name of [(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate?
The IUPAC name of [(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate (CID 135224860) is [(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate.
What is the SMILES notation for [(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate?
The canonical SMILES for [(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate is CO/C=C\C/C=C\CC(C)(C)OC(=O)OC(C)C(C)C.
What is the InChIKey of [(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate?
The InChIKey is QXDJBCUUFHEILK-GEHMVYPESA-N. The full InChI is InChI=1S/C16H28O4/c1-13(2)14(3)19-15(17)20-16(4,5)11-9-7-8-10-12-18-6/h7,9-10,12-14H,8,11H2,1-6H3/b9-7-,12-10-.
What are the key properties of [(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate?
[(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate has a molecular weight of 284.40 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate is sourced from PubChem (CID 135224860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).