tert-butyl hex-4-enoate

C10H18O2 — CID 86102608

IUPACtert-butyl hex-4-enoate
SMILESCC=CCCC(=O)OC(C)(C)C
InChIInChI=1S/C10H18O2/c1-5-6-7-8-9(11)12-10(2,3)4/h5-6H,7-8H2,1-4H3
InChIKeyWOUAZZLBLDARLN-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.68
Rot. Bonds3

About tert-butyl hex-4-enoate

tert-butyl hex-4-enoate (PubChem CID 86102608) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is tert-butyl hex-4-enoate.

Molecular Properties

Compound Nametert-butyl hex-4-enoate
PubChem CID86102608
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nametert-butyl hex-4-enoate
SMILESCC=CCCC(=O)OC(C)(C)C
InChIInChI=1S/C10H18O2/c1-5-6-7-8-9(11)12-10(2,3)4/h5-6H,7-8H2,1-4H3
InChIKeyWOUAZZLBLDARLN-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl pentanedioate
CID 3016405
tert-butyl (E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoate
CID 102026421
2-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohex-2-enoic acid
CID 91464497
[(E)-pent-3-enyl] (E)-hex-4-enoate
CID 155647777
tert-butyl 3-[(Z)-but-2-enyl]sulfanyl-3-methylbutanoate
CID 142239294
tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11777975
tert-butyl (Z)-triacont-21-enoate
CID 132563275
ethenyl (E)-hex-4-enoate
CID 87134137
tert-butyl (5Z)-nona-5,8-dienoate
CID 130346489
tert-butyl (6E)-nona-6,8-dienoate
CID 10081858
tert-butyl (Z)-8-methylnon-6-enoate
CID 133055756
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491

Frequently Asked Questions

What is the IUPAC name of tert-butyl hex-4-enoate?
The IUPAC name of tert-butyl hex-4-enoate (CID 86102608) is tert-butyl hex-4-enoate.
What is the SMILES notation for tert-butyl hex-4-enoate?
The canonical SMILES for tert-butyl hex-4-enoate is CC=CCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl hex-4-enoate?
The InChIKey is WOUAZZLBLDARLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-6-7-8-9(11)12-10(2,3)4/h5-6H,7-8H2,1-4H3.
What are the key properties of tert-butyl hex-4-enoate?
tert-butyl hex-4-enoate has a molecular weight of 170.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl hex-4-enoate is sourced from PubChem (CID 86102608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).