[9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate

C18H26O3 — CID 89204886

IUPAC[9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CC2CC1C1C3CC(CO)C(C3)C21
InChIInChI=1S/C18H26O3/c1-9(2)18(20)21-8-13-4-11-6-15(13)17-10-3-12(7-19)14(5-10)16(11)17/h10-17,19H,1,3-8H2,2H3
InChIKeyWAKOQLVRUVIZNL-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.64
Rot. Bonds4

About [9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate

[9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate (PubChem CID 89204886) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is [9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate
PubChem CID89204886
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name[9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CC2CC1C1C3CC(CO)C(C3)C21
InChIInChI=1S/C18H26O3/c1-9(2)18(20)21-8-13-4-11-6-15(13)17-10-3-12(7-19)14(5-10)16(11)17/h10-17,19H,1,3-8H2,2H3
InChIKeyWAKOQLVRUVIZNL-UHFFFAOYSA-N
XLogP2.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 18956888
methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate
CID 156801086
3-O-[[4-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl] 1-O-[[8-(2-methylprop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl] 5-hydroxybenzene-1,3-dicarboxylate
CID 88988181
(3-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl 6-(2-methylprop-2-enoyloxy)hexanoate
CID 163927106
(12-ethyl-4-hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecanyl) 2-methylprop-2-enoate
CID 58670484
2-bicyclo[2.2.1]hept-5-enylmethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 69299162
[8-(2-methylprop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl 3-methoxybut-2-enoate
CID 139788272
(7-oxo-8-oxatricyclo[4.3.0.02,4]nonan-9-yl)methyl 2-methylprop-2-enoate
CID 89063719
[2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid)
CID 68927057
[1-[(1R,2R,3S,4S,5R,6R)-6-(hydroxymethyl)-3-tricyclo[3.2.1.02,4]octanyl]-2-methylprop-1-enyl] acetate
CID 11687454
[(4R)-5-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 155418776
4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-dimethylbutanoate
CID 118041802

Frequently Asked Questions

What is the IUPAC name of [9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate (CID 89204886) is [9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CC2CC1C1C3CC(CO)C(C3)C21.
What is the InChIKey of [9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate?
The InChIKey is WAKOQLVRUVIZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-9(2)18(20)21-8-13-4-11-6-15(13)17-10-3-12(7-19)14(5-10)16(11)17/h10-17,19H,1,3-8H2,2H3.
What are the key properties of [9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate?
[9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate has a molecular weight of 290.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 89204886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).