2,4-dimethylpentan-3-yl ethyl carbonate

C10H20O3 — CID 59320467

IUPAC2,4-dimethylpentan-3-yl ethyl carbonate
SMILESCCOC(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C10H20O3/c1-6-12-10(11)13-9(7(2)3)8(4)5/h7-9H,6H2,1-5H3
InChIKeyGTRBOBAVUJEMQK-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.84
Rot. Bonds4

About 2,4-dimethylpentan-3-yl ethyl carbonate

2,4-dimethylpentan-3-yl ethyl carbonate (PubChem CID 59320467) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl ethyl carbonate.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl ethyl carbonate
PubChem CID59320467
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2,4-dimethylpentan-3-yl ethyl carbonate
SMILESCCOC(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C10H20O3/c1-6-12-10(11)13-9(7(2)3)8(4)5/h7-9H,6H2,1-5H3
InChIKeyGTRBOBAVUJEMQK-UHFFFAOYSA-N
XLogP2.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methylbutan-2-yl propyl carbonate
CID 59320477
Ethyl 3-methylbutan-2-yl carbonate
CID 23451725
Isobutyl pentan-2-yl carbonate
CID 58096608
Ethyl 4-methylpentan-2-yl carbonate
CID 91692268
Ethyl 2-methylpentyl carbonate
CID 91698427
Carbonic acid, isobutyl isohexyl ester
CID 6420716
Carbonic acid, isohexyl methyl ester
CID 6421219
Carbonic acid, ethyl isohexyl ester
CID 6421509
Isobutyl isopropyl carbonate
CID 22129399
Carbonic acid, ethyl 3-pentyl ester
CID 23451728
Hexan-2-yl isobutyl carbonate
CID 58096634
2,4-Dimethylpentan-3-yl isobutyl carbonate
CID 58096965

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yl ethyl carbonate?
The IUPAC name of 2,4-dimethylpentan-3-yl ethyl carbonate (CID 59320467) is 2,4-dimethylpentan-3-yl ethyl carbonate.
What is the SMILES notation for 2,4-dimethylpentan-3-yl ethyl carbonate?
The canonical SMILES for 2,4-dimethylpentan-3-yl ethyl carbonate is CCOC(=O)OC(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yl ethyl carbonate?
The InChIKey is GTRBOBAVUJEMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-6-12-10(11)13-9(7(2)3)8(4)5/h7-9H,6H2,1-5H3.
What are the key properties of 2,4-dimethylpentan-3-yl ethyl carbonate?
2,4-dimethylpentan-3-yl ethyl carbonate has a molecular weight of 188.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yl ethyl carbonate is sourced from PubChem (CID 59320467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).