propan-2-yl 2-propan-2-yldecanoate

C16H32O2 — CID 175067066

IUPACpropan-2-yl 2-propan-2-yldecanoate
SMILESCCCCCCCCC(C(=O)OC(C)C)C(C)C
InChIInChI=1S/C16H32O2/c1-6-7-8-9-10-11-12-15(13(2)3)16(17)18-14(4)5/h13-15H,6-12H2,1-5H3
InChIKeyXVFLYUGTMJUXIJ-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.96
Rot. Bonds10

About propan-2-yl 2-propan-2-yldecanoate

propan-2-yl 2-propan-2-yldecanoate (PubChem CID 175067066) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is propan-2-yl 2-propan-2-yldecanoate.

Molecular Properties

Compound Namepropan-2-yl 2-propan-2-yldecanoate
PubChem CID175067066
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Namepropan-2-yl 2-propan-2-yldecanoate
SMILESCCCCCCCCC(C(=O)OC(C)C)C(C)C
InChIInChI=1S/C16H32O2/c1-6-7-8-9-10-11-12-15(13(2)3)16(17)18-14(4)5/h13-15H,6-12H2,1-5H3
InChIKeyXVFLYUGTMJUXIJ-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-propan-2-yltetradecanoate
CID 118450856
16-methyl-15-propan-2-yloxycarbonylheptadecanoic acid
CID 89462751
20-methyl-19-propan-2-yloxycarbonylhenicosanoic acid
CID 89462417
13-methyl-12-propan-2-yloxycarbonyltetradecanoic acid
CID 89463014
dipropan-2-yl 2-octylpropanedioate
CID 18370785
propan-2-yl 2-pentyloctanoate
CID 130235852
octan-2-yl 2-(aminomethyl)-3-methylbutanoate
CID 65217585
2-propan-2-ylhexadecanoic acid;propan-2-yl tetradecanoate
CID 158143433
propan-2-yl hexadecanoate;2-propan-2-ylhexadecanoic acid
CID 87073615
2,3-dihydroxypropyl 2-propan-2-yltetradecanoate
CID 50906597
propan-2-yl 2-butanoyltetradecanoate
CID 118356607
dipentyl 2-propan-2-yltetradecanedioate
CID 87116289

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-propan-2-yldecanoate?
The IUPAC name of propan-2-yl 2-propan-2-yldecanoate (CID 175067066) is propan-2-yl 2-propan-2-yldecanoate.
What is the SMILES notation for propan-2-yl 2-propan-2-yldecanoate?
The canonical SMILES for propan-2-yl 2-propan-2-yldecanoate is CCCCCCCCC(C(=O)OC(C)C)C(C)C.
What is the InChIKey of propan-2-yl 2-propan-2-yldecanoate?
The InChIKey is XVFLYUGTMJUXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-6-7-8-9-10-11-12-15(13(2)3)16(17)18-14(4)5/h13-15H,6-12H2,1-5H3.
What are the key properties of propan-2-yl 2-propan-2-yldecanoate?
propan-2-yl 2-propan-2-yldecanoate has a molecular weight of 256.43 g/mol, XLogP of 4.96, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-propan-2-yldecanoate is sourced from PubChem (CID 175067066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).