5-butylnonan-5-yl methyl carbonate

C15H30O3 — CID 141441033

IUPAC5-butylnonan-5-yl methyl carbonate
SMILESCCCCC(CCCC)(CCCC)OC(=O)OC
InChIInChI=1S/C15H30O3/c1-5-8-11-15(12-9-6-2,13-10-7-3)18-14(16)17-4/h5-13H2,1-4H3
InChIKeyDKJSJJFEIRNAOR-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.08
Rot. Bonds10

About 5-butylnonan-5-yl methyl carbonate

5-butylnonan-5-yl methyl carbonate (PubChem CID 141441033) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 5-butylnonan-5-yl methyl carbonate.

Molecular Properties

Compound Name5-butylnonan-5-yl methyl carbonate
PubChem CID141441033
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name5-butylnonan-5-yl methyl carbonate
SMILESCCCCC(CCCC)(CCCC)OC(=O)OC
InChIInChI=1S/C15H30O3/c1-5-8-11-15(12-9-6-2,13-10-7-3)18-14(16)17-4/h5-13H2,1-4H3
InChIKeyDKJSJJFEIRNAOR-UHFFFAOYSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylhexan-2-yl 2-hydroxypropanoate
CID 140737636
2-methylhexan-2-yl 2-methylpentan-3-yl carbonate
CID 129274077
5-propyldecan-5-yl acetate
CID 172855546
9-octyloctadecan-9-yl acetate
CID 87256953
13-dodecylpentacosan-13-yl acetate
CID 57064481
methyl 3-hydroxy-2,3-dimethylheptanoate
CID 6422821
methyl 2-(butan-2-ylamino)-2-ethylhexanoate
CID 63953250
bis(17-pentyltritriacontan-17-yl) hexanedioate
CID 90428517
2-methylhexan-2-yl N-aminocarbamate
CID 163750703
λ2-stannane;methyl 2,2-dibutylhexanoate
CID 174859558
methyl 2-propan-2-yl-2-silyldecanoate
CID 174849374
dibutyl 2-butyl-2-propan-2-ylpropanedioate
CID 57179472

Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl methyl carbonate?
The IUPAC name of 5-butylnonan-5-yl methyl carbonate (CID 141441033) is 5-butylnonan-5-yl methyl carbonate.
What is the SMILES notation for 5-butylnonan-5-yl methyl carbonate?
The canonical SMILES for 5-butylnonan-5-yl methyl carbonate is CCCCC(CCCC)(CCCC)OC(=O)OC.
What is the InChIKey of 5-butylnonan-5-yl methyl carbonate?
The InChIKey is DKJSJJFEIRNAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-5-8-11-15(12-9-6-2,13-10-7-3)18-14(16)17-4/h5-13H2,1-4H3.
What are the key properties of 5-butylnonan-5-yl methyl carbonate?
5-butylnonan-5-yl methyl carbonate has a molecular weight of 258.40 g/mol, XLogP of 5.08, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl methyl carbonate is sourced from PubChem (CID 141441033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).