cyclohexyl prop-2-enoate;2-methylprop-1-ene

C13H22O2 — CID 174895643

IUPACcyclohexyl prop-2-enoate;2-methylprop-1-ene
SMILESC=C(C)C.C=CC(=O)OC1CCCCC1
InChIInChI=1S/C9H14O2.C4H8/c1-2-9(10)11-8-6-4-3-5-7-8;1-4(2)3/h2,8H,1,3-7H2;1H2,2-3H3
InChIKeyVTFUINQVHABNCM-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.63
Rot. Bonds2

About cyclohexyl prop-2-enoate;2-methylprop-1-ene

cyclohexyl prop-2-enoate;2-methylprop-1-ene (PubChem CID 174895643) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is cyclohexyl prop-2-enoate;2-methylprop-1-ene.

Molecular Properties

Compound Namecyclohexyl prop-2-enoate;2-methylprop-1-ene
PubChem CID174895643
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Namecyclohexyl prop-2-enoate;2-methylprop-1-ene
SMILESC=C(C)C.C=CC(=O)OC1CCCCC1
InChIInChI=1S/C9H14O2.C4H8/c1-2-9(10)11-8-6-4-3-5-7-8;1-4(2)3/h2,8H,1,3-7H2;1H2,2-3H3
InChIKeyVTFUINQVHABNCM-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclododecyl prop-2-enoate;prop-2-enoic acid
CID 162264812
cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
CID 175472887
dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate
CID 174735157
CID 159294157
CID 159294157
cyclohexyl 2-methylprop-2-enoate;cyclohexyl prop-2-enoate;hexyl prop-2-enoate
CID 118666735
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate
CID 159401375
dicycloheptyl (Z)-2-methylbut-2-enedioate
CID 135353626
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
[4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate
CID 140571130
cyclohexyl (Z)-3-hydroxybut-2-enoate
CID 54717694

Frequently Asked Questions

What is the IUPAC name of cyclohexyl prop-2-enoate;2-methylprop-1-ene?
The IUPAC name of cyclohexyl prop-2-enoate;2-methylprop-1-ene (CID 174895643) is cyclohexyl prop-2-enoate;2-methylprop-1-ene.
What is the SMILES notation for cyclohexyl prop-2-enoate;2-methylprop-1-ene?
The canonical SMILES for cyclohexyl prop-2-enoate;2-methylprop-1-ene is C=C(C)C.C=CC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl prop-2-enoate;2-methylprop-1-ene?
The InChIKey is VTFUINQVHABNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2.C4H8/c1-2-9(10)11-8-6-4-3-5-7-8;1-4(2)3/h2,8H,1,3-7H2;1H2,2-3H3.
What are the key properties of cyclohexyl prop-2-enoate;2-methylprop-1-ene?
cyclohexyl prop-2-enoate;2-methylprop-1-ene has a molecular weight of 210.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl prop-2-enoate;2-methylprop-1-ene is sourced from PubChem (CID 174895643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).