2-methylhexan-2-yl 2-methylpentan-3-yl carbonate

C14H28O3 — CID 129274077

IUPAC2-methylhexan-2-yl 2-methylpentan-3-yl carbonate
SMILESCCCCC(C)(C)OC(=O)OC(CC)C(C)C
InChIInChI=1S/C14H28O3/c1-7-9-10-14(5,6)17-13(15)16-12(8-2)11(3)4/h11-12H,7-10H2,1-6H3
InChIKeyHWLQXDQGRUXOTE-UHFFFAOYSA-N
MW244.37 g/mol
LogP4.54
Rot. Bonds7

About 2-methylhexan-2-yl 2-methylpentan-3-yl carbonate

2-methylhexan-2-yl 2-methylpentan-3-yl carbonate (PubChem CID 129274077) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2-methylhexan-2-yl 2-methylpentan-3-yl carbonate.

Molecular Properties

Compound Name2-methylhexan-2-yl 2-methylpentan-3-yl carbonate
PubChem CID129274077
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2-methylhexan-2-yl 2-methylpentan-3-yl carbonate
SMILESCCCCC(C)(C)OC(=O)OC(CC)C(C)C
InChIInChI=1S/C14H28O3/c1-7-9-10-14(5,6)17-13(15)16-12(8-2)11(3)4/h11-12H,7-10H2,1-6H3
InChIKeyHWLQXDQGRUXOTE-UHFFFAOYSA-N
XLogP4.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylhexan-2-yl 2-methylpentan-3-yl carbonate?
The IUPAC name of 2-methylhexan-2-yl 2-methylpentan-3-yl carbonate (CID 129274077) is 2-methylhexan-2-yl 2-methylpentan-3-yl carbonate.
What is the SMILES notation for 2-methylhexan-2-yl 2-methylpentan-3-yl carbonate?
The canonical SMILES for 2-methylhexan-2-yl 2-methylpentan-3-yl carbonate is CCCCC(C)(C)OC(=O)OC(CC)C(C)C.
What is the InChIKey of 2-methylhexan-2-yl 2-methylpentan-3-yl carbonate?
The InChIKey is HWLQXDQGRUXOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-7-9-10-14(5,6)17-13(15)16-12(8-2)11(3)4/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-methylhexan-2-yl 2-methylpentan-3-yl carbonate?
2-methylhexan-2-yl 2-methylpentan-3-yl carbonate has a molecular weight of 244.37 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexan-2-yl 2-methylpentan-3-yl carbonate is sourced from PubChem (CID 129274077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).