[8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate

C18H26O4 — CID 171754001

IUPAC[8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate
SMILESC=CC(=O)OCC1CC2CC1C1CCC(COC(=O)CC)C21
InChIInChI=1S/C18H26O4/c1-3-16(19)21-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-22-17(20)4-2/h4,11-15,18H,2-3,5-10H2,1H3
InChIKeyHZVJPQVRROBNQN-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.97
Rot. Bonds6

About [8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate

[8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate (PubChem CID 171754001) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is [8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate.

Molecular Properties

Compound Name[8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate
PubChem CID171754001
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name[8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate
SMILESC=CC(=O)OCC1CC2CC1C1CCC(COC(=O)CC)C21
InChIInChI=1S/C18H26O4/c1-3-16(19)21-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-22-17(20)4-2/h4,11-15,18H,2-3,5-10H2,1H3
InChIKeyHZVJPQVRROBNQN-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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

3-tricyclo[5.2.1.02,6]decanylmethyl propanoate
CID 54381612
[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl 3-[[8-[[[3-oxo-3-[[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]-propanoylamino]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl-propanoylamino]propanoate
CID 58319791
[4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 54552642
[(2R)-8-(2-methylprop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl 9-[6-hexyl-3-octyl-2-[9-oxo-9-[[(2R)-4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]nonyl]cyclohexyl]nonanoate
CID 89314912
[(2R,6R)-4-(2-methylprop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 9-[3-hexyl-4-octyl-2-[9-oxo-9-[[(2S,6S)-4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]nonyl]cyclohexyl]nonanoate
CID 58981315
(3-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl 6-(2-methylprop-2-enoyloxy)hexanoate
CID 163927106
[3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 91104364
(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl prop-2-enoate
CID 154536495
2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
CID 139562214
N-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide
CID 135273156
8-tricyclo[5.2.1.02,6]dec-3-enylmethyl 6-prop-2-enoyloxyhexanoate
CID 163836073
2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 162064612

Frequently Asked Questions

What is the IUPAC name of [8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate?
The IUPAC name of [8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate (CID 171754001) is [8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate.
What is the SMILES notation for [8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate?
The canonical SMILES for [8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate is C=CC(=O)OCC1CC2CC1C1CCC(COC(=O)CC)C21.
What is the InChIKey of [8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate?
The InChIKey is HZVJPQVRROBNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-3-16(19)21-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-22-17(20)4-2/h4,11-15,18H,2-3,5-10H2,1H3.
What are the key properties of [8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate?
[8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate has a molecular weight of 306.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate is sourced from PubChem (CID 171754001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).