buta-2,3-dienyl pentanoate

C9H14O2 — CID 91395585

IUPACbuta-2,3-dienyl pentanoate
SMILESC=C=CCOC(=O)CCCC
InChIInChI=1S/C9H14O2/c1-3-5-7-9(10)11-8-6-4-2/h6H,2-3,5,7-8H2,1H3
InChIKeyZRPFFOCRZXMMDL-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.06
Rot. Bonds5

About buta-2,3-dienyl pentanoate

buta-2,3-dienyl pentanoate (PubChem CID 91395585) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is buta-2,3-dienyl pentanoate.

Molecular Properties

Compound Namebuta-2,3-dienyl pentanoate
PubChem CID91395585
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namebuta-2,3-dienyl pentanoate
SMILESC=C=CCOC(=O)CCCC
InChIInChI=1S/C9H14O2/c1-3-5-7-9(10)11-8-6-4-2/h6H,2-3,5,7-8H2,1H3
InChIKeyZRPFFOCRZXMMDL-UHFFFAOYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

prop-2-enyl pentadecanoate
CID 87531612
prop-2-enyl tridecanoate
CID 91752122
[(Z)-pent-2-enyl] pentanoate
CID 5367937
but-2-enyl octanoate
CID 141242223
(2-amino-2-oxoethyl) pentanoate
CID 142660312
bismuthane;propyl pentanoate
CID 174550006
CID 173421919
CID 173421919
3,3-difluoroprop-2-enyl hexanoate
CID 555121
nonyl pentanoate
CID 568602
(2-hydroxyacetyl)oxymethyl pentanoate
CID 59942583
oct-2-enyl hexadecanoate
CID 154498237
[(Z)-4-[(E)-octadec-9-enoyl]oxybut-2-enyl] (Z)-octadec-9-enoate
CID 5355450

Frequently Asked Questions

What is the IUPAC name of buta-2,3-dienyl pentanoate?
The IUPAC name of buta-2,3-dienyl pentanoate (CID 91395585) is buta-2,3-dienyl pentanoate.
What is the SMILES notation for buta-2,3-dienyl pentanoate?
The canonical SMILES for buta-2,3-dienyl pentanoate is C=C=CCOC(=O)CCCC.
What is the InChIKey of buta-2,3-dienyl pentanoate?
The InChIKey is ZRPFFOCRZXMMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-5-7-9(10)11-8-6-4-2/h6H,2-3,5,7-8H2,1H3.
What are the key properties of buta-2,3-dienyl pentanoate?
buta-2,3-dienyl pentanoate has a molecular weight of 154.21 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for buta-2,3-dienyl pentanoate is sourced from PubChem (CID 91395585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).