2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate

C15H24O4 — CID 139896785

IUPAC2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1CCC(COC(C)=O)CC1
InChIInChI=1S/C15H24O4/c1-11(2)15(17)18-9-8-13-4-6-14(7-5-13)10-19-12(3)16/h13-14H,1,4-10H2,2-3H3
InChIKeyHVEVSABSISWMDR-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.87
Rot. Bonds6

About 2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate

2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate (PubChem CID 139896785) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate
PubChem CID139896785
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1CCC(COC(C)=O)CC1
InChIInChI=1S/C15H24O4/c1-11(2)15(17)18-9-8-13-4-6-14(7-5-13)10-19-12(3)16/h13-14H,1,4-10H2,2-3H3
InChIKeyHVEVSABSISWMDR-UHFFFAOYSA-N
XLogP2.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-propylcyclohexyl)methyl 2-methylprop-2-enoate
CID 123563318
cyclopropylmethyl acetate
CID 538333
(4-methylcyclohexyl)methyl 2-methylprop-2-enoate
CID 22737447
3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate
CID 59289014
[4-(acetamidomethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 58651922
(4-ethoxycyclohexyl)methyl 2-methylprop-2-enoate
CID 139934588
thian-4-ylmethyl 2-methylprop-2-enoate
CID 163835794
2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 126547486
4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate
CID 139896779
5-cycloheptylpentyl 2-methylprop-2-enoate
CID 164546531
ethane;(4-methylcyclohexyl)methyl acetate
CID 144507702
2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate
CID 69125498

Frequently Asked Questions

What is the IUPAC name of 2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate (CID 139896785) is 2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC1CCC(COC(C)=O)CC1.
What is the InChIKey of 2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate?
The InChIKey is HVEVSABSISWMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-11(2)15(17)18-9-8-13-4-6-14(7-5-13)10-19-12(3)16/h13-14H,1,4-10H2,2-3H3.
What are the key properties of 2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate?
2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate has a molecular weight of 268.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139896785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).