dipentyl 2-methylidenebutanedioate

C15H26O4 — CID 18618577

IUPACdipentyl 2-methylidenebutanedioate
SMILESC=C(CC(=O)OCCCCC)C(=O)OCCCCC
InChIInChI=1S/C15H26O4/c1-4-6-8-10-18-14(16)12-13(3)15(17)19-11-9-7-5-2/h3-12H2,1-2H3
InChIKeyNJCKCUVRQPTKTF-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.40
Rot. Bonds11

About dipentyl 2-methylidenebutanedioate

dipentyl 2-methylidenebutanedioate (PubChem CID 18618577) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is dipentyl 2-methylidenebutanedioate.

Molecular Properties

Compound Namedipentyl 2-methylidenebutanedioate
PubChem CID18618577
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namedipentyl 2-methylidenebutanedioate
SMILESC=C(CC(=O)OCCCCC)C(=O)OCCCCC
InChIInChI=1S/C15H26O4/c1-4-6-8-10-18-14(16)12-13(3)15(17)19-11-9-7-5-2/h3-12H2,1-2H3
InChIKeyNJCKCUVRQPTKTF-UHFFFAOYSA-N
XLogP3.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dioctacosyl 2-methylidenebutanedioate
CID 175314352
4-O-hexyl 1-O-octyl 2-methylidenebutanedioate
CID 174828394
dinonyl 2-methylidenebutanedioate
CID 18618584
4-O-(2-hydroxyethyl) 1-O-pentyl 2-methylidenebutanedioate
CID 159609621
dioctyl 2-methylidenebutanedioate;2-methylbuta-1,3-diene
CID 174651213
bis(octadec-9-enyl) 2-methylidenebutanedioate
CID 54504227
1-O-[2-(methylsulfanylamino)ethyl] 4-O-octyl 2-methylidenebutanedioate
CID 155259704
3-tetradecoxycarbonylbut-3-enoic acid
CID 54295681
dibutyl 2-methylidenebutanedioate;diethyl decanedioate
CID 158717623
1-O-(2,3-dihydroxypropyl) 4-O-dodecyl 2-methylidenebutanedioate
CID 71341292
sodium 3-dodecoxycarbonylbut-3-enoate
CID 139724547
zinc bis(3-dodecoxycarbonylbut-3-enoate)
CID 87411475

Frequently Asked Questions

What is the IUPAC name of dipentyl 2-methylidenebutanedioate?
The IUPAC name of dipentyl 2-methylidenebutanedioate (CID 18618577) is dipentyl 2-methylidenebutanedioate.
What is the SMILES notation for dipentyl 2-methylidenebutanedioate?
The canonical SMILES for dipentyl 2-methylidenebutanedioate is C=C(CC(=O)OCCCCC)C(=O)OCCCCC.
What is the InChIKey of dipentyl 2-methylidenebutanedioate?
The InChIKey is NJCKCUVRQPTKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-4-6-8-10-18-14(16)12-13(3)15(17)19-11-9-7-5-2/h3-12H2,1-2H3.
What are the key properties of dipentyl 2-methylidenebutanedioate?
dipentyl 2-methylidenebutanedioate has a molecular weight of 270.37 g/mol, XLogP of 3.40, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipentyl 2-methylidenebutanedioate is sourced from PubChem (CID 18618577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).