dipropan-2-yl 2-(cyclopentylmethyl)butanedioate

C16H28O4 — CID 143172660

IUPACdipropan-2-yl 2-(cyclopentylmethyl)butanedioate
SMILESCC(C)OC(=O)CC(CC1CCCC1)C(=O)OC(C)C
InChIInChI=1S/C16H28O4/c1-11(2)19-15(17)10-14(16(18)20-12(3)4)9-13-7-5-6-8-13/h11-14H,5-10H2,1-4H3
InChIKeyKONWZZYZMBCHRL-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.48
Rot. Bonds7

About dipropan-2-yl 2-(cyclopentylmethyl)butanedioate

dipropan-2-yl 2-(cyclopentylmethyl)butanedioate (PubChem CID 143172660) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is dipropan-2-yl 2-(cyclopentylmethyl)butanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2-(cyclopentylmethyl)butanedioate
PubChem CID143172660
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Namedipropan-2-yl 2-(cyclopentylmethyl)butanedioate
SMILESCC(C)OC(=O)CC(CC1CCCC1)C(=O)OC(C)C
InChIInChI=1S/C16H28O4/c1-11(2)19-15(17)10-14(16(18)20-12(3)4)9-13-7-5-6-8-13/h11-14H,5-10H2,1-4H3
InChIKeyKONWZZYZMBCHRL-UHFFFAOYSA-N
XLogP3.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dipropan-2-yl 2-(cyclopentylmethyl)butanedioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-(cyclopentylmethyl)butanedioate?
The IUPAC name of dipropan-2-yl 2-(cyclopentylmethyl)butanedioate (CID 143172660) is dipropan-2-yl 2-(cyclopentylmethyl)butanedioate.
What is the SMILES notation for dipropan-2-yl 2-(cyclopentylmethyl)butanedioate?
The canonical SMILES for dipropan-2-yl 2-(cyclopentylmethyl)butanedioate is CC(C)OC(=O)CC(CC1CCCC1)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 2-(cyclopentylmethyl)butanedioate?
The InChIKey is KONWZZYZMBCHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-11(2)19-15(17)10-14(16(18)20-12(3)4)9-13-7-5-6-8-13/h11-14H,5-10H2,1-4H3.
What are the key properties of dipropan-2-yl 2-(cyclopentylmethyl)butanedioate?
dipropan-2-yl 2-(cyclopentylmethyl)butanedioate has a molecular weight of 284.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-(cyclopentylmethyl)butanedioate is sourced from PubChem (CID 143172660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).