ethyl (2-methylcyclohexen-1-yl) carbonate

C10H16O3 — CID 12592129

IUPACethyl (2-methylcyclohexen-1-yl) carbonate
SMILESCCOC(=O)OC1=C(C)CCCC1
InChIInChI=1S/C10H16O3/c1-3-12-10(11)13-9-7-5-4-6-8(9)2/h3-7H2,1-2H3
InChIKeyPXMXLWZHVMJRNO-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.01
Rot. Bonds2

About ethyl (2-methylcyclohexen-1-yl) carbonate

ethyl (2-methylcyclohexen-1-yl) carbonate (PubChem CID 12592129) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl (2-methylcyclohexen-1-yl) carbonate.

Molecular Properties

Compound Nameethyl (2-methylcyclohexen-1-yl) carbonate
PubChem CID12592129
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl (2-methylcyclohexen-1-yl) carbonate
SMILESCCOC(=O)OC1=C(C)CCCC1
InChIInChI=1S/C10H16O3/c1-3-12-10(11)13-9-7-5-4-6-8(9)2/h3-7H2,1-2H3
InChIKeyPXMXLWZHVMJRNO-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2-methylcyclohexen-1-yl) carbonate?
The IUPAC name of ethyl (2-methylcyclohexen-1-yl) carbonate (CID 12592129) is ethyl (2-methylcyclohexen-1-yl) carbonate.
What is the SMILES notation for ethyl (2-methylcyclohexen-1-yl) carbonate?
The canonical SMILES for ethyl (2-methylcyclohexen-1-yl) carbonate is CCOC(=O)OC1=C(C)CCCC1.
What is the InChIKey of ethyl (2-methylcyclohexen-1-yl) carbonate?
The InChIKey is PXMXLWZHVMJRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-12-10(11)13-9-7-5-4-6-8(9)2/h3-7H2,1-2H3.
What are the key properties of ethyl (2-methylcyclohexen-1-yl) carbonate?
ethyl (2-methylcyclohexen-1-yl) carbonate has a molecular weight of 184.23 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2-methylcyclohexen-1-yl) carbonate is sourced from PubChem (CID 12592129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).