methyl 3-cyclohexyl-2-methylhex-2-enoate

C14H24O2 — CID 175495386

IUPACmethyl 3-cyclohexyl-2-methylhex-2-enoate
SMILESCCCC(=C(C)C(=O)OC)C1CCCCC1
InChIInChI=1S/C14H24O2/c1-4-8-13(11(2)14(15)16-3)12-9-6-5-7-10-12/h12H,4-10H2,1-3H3
InChIKeyDOTMNKSXMXONAJ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.86
Rot. Bonds4

About methyl 3-cyclohexyl-2-methylhex-2-enoate

methyl 3-cyclohexyl-2-methylhex-2-enoate (PubChem CID 175495386) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is methyl 3-cyclohexyl-2-methylhex-2-enoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-2-methylhex-2-enoate
PubChem CID175495386
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namemethyl 3-cyclohexyl-2-methylhex-2-enoate
SMILESCCCC(=C(C)C(=O)OC)C1CCCCC1
InChIInChI=1S/C14H24O2/c1-4-8-13(11(2)14(15)16-3)12-9-6-5-7-10-12/h12H,4-10H2,1-3H3
InChIKeyDOTMNKSXMXONAJ-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-2-methylhex-2-enoate?
The IUPAC name of methyl 3-cyclohexyl-2-methylhex-2-enoate (CID 175495386) is methyl 3-cyclohexyl-2-methylhex-2-enoate.
What is the SMILES notation for methyl 3-cyclohexyl-2-methylhex-2-enoate?
The canonical SMILES for methyl 3-cyclohexyl-2-methylhex-2-enoate is CCCC(=C(C)C(=O)OC)C1CCCCC1.
What is the InChIKey of methyl 3-cyclohexyl-2-methylhex-2-enoate?
The InChIKey is DOTMNKSXMXONAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-8-13(11(2)14(15)16-3)12-9-6-5-7-10-12/h12H,4-10H2,1-3H3.
What are the key properties of methyl 3-cyclohexyl-2-methylhex-2-enoate?
methyl 3-cyclohexyl-2-methylhex-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-2-methylhex-2-enoate is sourced from PubChem (CID 175495386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).