[(Z)-1-methoxy-4-methylpent-1-en-2-yl] formate

C8H14O3 — CID 171840036

IUPAC[(Z)-1-methoxy-4-methylpent-1-en-2-yl] formate
SMILESCO/C=C(/CC(C)C)OC=O
InChIInChI=1S/C8H14O3/c1-7(2)4-8(5-10-3)11-6-9/h5-7H,4H2,1-3H3/b8-5-
InChIKeyVYBAXOCUESLZDC-YVMONPNESA-N
MW158.20 g/mol
LogP1.69
Rot. Bonds5

About [(Z)-1-methoxy-4-methylpent-1-en-2-yl] formate

[(Z)-1-methoxy-4-methylpent-1-en-2-yl] formate (PubChem CID 171840036) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(Z)-1-methoxy-4-methylpent-1-en-2-yl] formate.

Molecular Properties

Compound Name[(Z)-1-methoxy-4-methylpent-1-en-2-yl] formate
PubChem CID171840036
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[(Z)-1-methoxy-4-methylpent-1-en-2-yl] formate
SMILESCO/C=C(/CC(C)C)OC=O
InChIInChI=1S/C8H14O3/c1-7(2)4-8(5-10-3)11-6-9/h5-7H,4H2,1-3H3/b8-5-
InChIKeyVYBAXOCUESLZDC-YVMONPNESA-N
XLogP1.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(Z)-1-methoxy-4-methylpent-1-en-2-yl] formate 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

3-methylbutanamide;propanal
CID 145275365
(Z)-4-methoxy-6-methylhept-3-ene
CID 12705644
2-methylpropoxycarbonyl formate
CID 20708629
3,7-dimethyl-5-(2-methylpropyl)oct-4-enal
CID 164909441
formyloxymethyl 3-methylbutanoate
CID 19964796
4,7-dimethyl-5-oxooctanal
CID 57274522
2-methylpropoxycarbonyl formate;2-methylpropyl carbonochloridate
CID 90931875
ethyl 3-methoxy-5-methylhex-2-enoate
CID 54510304
[(Z)-1-trimethylsilylbut-2-en-2-yl] formate
CID 172998389
1-methoxy-4,6-dimethylhepta-1,3-diene
CID 123970131
5,7-dimethyloct-4-enal
CID 154103325
(Z)-5-methyl-3-(2-methylpropyl)hex-3-enal
CID 58933338

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-methoxy-4-methylpent-1-en-2-yl] formate?
The IUPAC name of [(Z)-1-methoxy-4-methylpent-1-en-2-yl] formate (CID 171840036) is [(Z)-1-methoxy-4-methylpent-1-en-2-yl] formate.
What is the SMILES notation for [(Z)-1-methoxy-4-methylpent-1-en-2-yl] formate?
The canonical SMILES for [(Z)-1-methoxy-4-methylpent-1-en-2-yl] formate is CO/C=C(/CC(C)C)OC=O.
What is the InChIKey of [(Z)-1-methoxy-4-methylpent-1-en-2-yl] formate?
The InChIKey is VYBAXOCUESLZDC-YVMONPNESA-N. The full InChI is InChI=1S/C8H14O3/c1-7(2)4-8(5-10-3)11-6-9/h5-7H,4H2,1-3H3/b8-5-.
What are the key properties of [(Z)-1-methoxy-4-methylpent-1-en-2-yl] formate?
[(Z)-1-methoxy-4-methylpent-1-en-2-yl] formate has a molecular weight of 158.20 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-methoxy-4-methylpent-1-en-2-yl] formate is sourced from PubChem (CID 171840036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).