2-[1-(acetyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate

C18H26O4 — CID 135181106

IUPAC2-[1-(acetyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CC2C3CCC(COC(C)=O)(C3)C2C1
InChIInChI=1S/C18H26O4/c1-3-17(20)21-7-5-13-8-15-14-4-6-18(10-14,16(15)9-13)11-22-12(2)19/h3,13-16H,1,4-11H2,2H3
InChIKeyLAHKNSRMBOABHH-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.11
Rot. Bonds6

About 2-[1-(acetyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate

2-[1-(acetyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate (PubChem CID 135181106) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-[1-(acetyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[1-(acetyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
PubChem CID135181106
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name2-[1-(acetyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CC2C3CCC(COC(C)=O)(C3)C2C1
InChIInChI=1S/C18H26O4/c1-3-17(20)21-7-5-13-8-15-14-4-6-18(10-14,16(15)9-13)11-22-12(2)19/h3,13-16H,1,4-11H2,2H3
InChIKeyLAHKNSRMBOABHH-UHFFFAOYSA-N
XLogP3.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.11
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

2-[7-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
CID 134387296
2-(2,2,3,3-tetramethyl-1,3a,4,5,6,6a-hexahydropentalen-1-yl)ethyl prop-2-enoate
CID 89033561
2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl prop-2-enoate
CID 102248229
2-(2-ethylcyclopropyl)ethyl prop-2-enoate
CID 59721630
2-(3-hydroxycyclohexyl)ethyl prop-2-enoate
CID 171776027
1-O-(4-acetyloxybutyl) 2-O-(4-prop-2-enoyloxybutyl) oxalate
CID 123616376
[(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol
CID 12644101
2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
CID 121410457
3-[4-[1-methyl-4-(3-prop-2-enoyloxypropyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate
CID 89276186
2-[4-butyl-1-(2-prop-2-enoyloxyethyl)cyclohexyl]ethyl prop-2-enoate
CID 129143051
4-[[3-[(2-acetyloxyethoxycarbonylamino)methyl]cyclohexyl]methylcarbamoyloxy]butyl prop-2-enoate
CID 134238587
2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)
CID 11257663

Frequently Asked Questions

What is the IUPAC name of 2-[1-(acetyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate?
The IUPAC name of 2-[1-(acetyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate (CID 135181106) is 2-[1-(acetyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[1-(acetyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[1-(acetyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate is C=CC(=O)OCCC1CC2C3CCC(COC(C)=O)(C3)C2C1.
What is the InChIKey of 2-[1-(acetyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate?
The InChIKey is LAHKNSRMBOABHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-3-17(20)21-7-5-13-8-15-14-4-6-18(10-14,16(15)9-13)11-22-12(2)19/h3,13-16H,1,4-11H2,2H3.
What are the key properties of 2-[1-(acetyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate?
2-[1-(acetyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate has a molecular weight of 306.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(acetyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate is sourced from PubChem (CID 135181106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).