prop-1-en-2-yl 2-cyclohexylacetate

C11H18O2 — CID 57350090

IUPACprop-1-en-2-yl 2-cyclohexylacetate
SMILESC=C(C)OC(=O)CC1CCCCC1
InChIInChI=1S/C11H18O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h10H,1,3-8H2,2H3
InChIKeyXJXNRKPVRARASM-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.03
Rot. Bonds3

About prop-1-en-2-yl 2-cyclohexylacetate

prop-1-en-2-yl 2-cyclohexylacetate (PubChem CID 57350090) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is prop-1-en-2-yl 2-cyclohexylacetate.

Molecular Properties

Compound Nameprop-1-en-2-yl 2-cyclohexylacetate
PubChem CID57350090
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameprop-1-en-2-yl 2-cyclohexylacetate
SMILESC=C(C)OC(=O)CC1CCCCC1
InChIInChI=1S/C11H18O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h10H,1,3-8H2,2H3
InChIKeyXJXNRKPVRARASM-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
1-cyclohexadecylpropan-2-one
CID 175123721
ethyl acetate;ethyl 2-cyclohexylacetate
CID 66912131
1-cyclohexyl-5-methylhex-5-en-2-one
CID 58107373
acetyl 2-(4-hydroxycycloheptyl)acetate
CID 23295745
cyclopentyl 2-cyclohexylacetate;hydrochloride
CID 174567498
(2-cyclohexylacetyl)oxymethyl 2-methylpropanoate
CID 121486100
nitro 2-cycloheptylacetate
CID 175609649
N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine
CID 114615888
[4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate
CID 153456033
acetyl 3-cyclohexylpropanoate
CID 175292524
methyl 4-cyclooctyl-2-methylbut-2-enoate;methyl 2-(cyclooctylmethyl)prop-2-enoate
CID 175495445

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl 2-cyclohexylacetate?
The IUPAC name of prop-1-en-2-yl 2-cyclohexylacetate (CID 57350090) is prop-1-en-2-yl 2-cyclohexylacetate.
What is the SMILES notation for prop-1-en-2-yl 2-cyclohexylacetate?
The canonical SMILES for prop-1-en-2-yl 2-cyclohexylacetate is C=C(C)OC(=O)CC1CCCCC1.
What is the InChIKey of prop-1-en-2-yl 2-cyclohexylacetate?
The InChIKey is XJXNRKPVRARASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h10H,1,3-8H2,2H3.
What are the key properties of prop-1-en-2-yl 2-cyclohexylacetate?
prop-1-en-2-yl 2-cyclohexylacetate has a molecular weight of 182.26 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 2-cyclohexylacetate is sourced from PubChem (CID 57350090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).