(5-propan-2-yl-5-tetracyclo[4.4.1.01,4.02,8]undecanyl) prop-2-enoate

C17H24O2 — CID 163799664

IUPAC(5-propan-2-yl-5-tetracyclo[4.4.1.01,4.02,8]undecanyl) prop-2-enoate
SMILESC=CC(=O)OC1(C(C)C)C2CC3CCC4(C2)C3CC41
InChIInChI=1S/C17H24O2/c1-4-15(18)19-17(10(2)3)12-7-11-5-6-16(9-12)13(11)8-14(16)17/h4,10-14H,1,5-9H2,2-3H3
InChIKeyNDWOKROVLCFRTC-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.57
Rot. Bonds3

About (5-propan-2-yl-5-tetracyclo[4.4.1.01,4.02,8]undecanyl) prop-2-enoate

(5-propan-2-yl-5-tetracyclo[4.4.1.01,4.02,8]undecanyl) prop-2-enoate (PubChem CID 163799664) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (5-propan-2-yl-5-tetracyclo[4.4.1.01,4.02,8]undecanyl) prop-2-enoate.

Molecular Properties

Compound Name(5-propan-2-yl-5-tetracyclo[4.4.1.01,4.02,8]undecanyl) prop-2-enoate
PubChem CID163799664
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(5-propan-2-yl-5-tetracyclo[4.4.1.01,4.02,8]undecanyl) prop-2-enoate
SMILESC=CC(=O)OC1(C(C)C)C2CC3CCC4(C2)C3CC41
InChIInChI=1S/C17H24O2/c1-4-15(18)19-17(10(2)3)12-7-11-5-6-16(9-12)13(11)8-14(16)17/h4,10-14H,1,5-9H2,2-3H3
InChIKeyNDWOKROVLCFRTC-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-methyl-2-propan-2-yl-2-adamantyl) prop-2-enoate
CID 58734607
(5-fluoro-2-propan-2-yl-2-adamantyl) prop-2-enoate
CID 58734807
(1-propan-2-ylcyclobutyl) prop-2-enoate
CID 141276089
(1-propan-2-ylcyclohexyl) prop-2-enoate
CID 58734584
[(4aR,8aS,9aS,10aR)-9a-hydroxy-1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydroanthracen-4a-yl] prop-2-enoate
CID 20648003
(7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 57103499
(5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate
CID 154537210
[(1R,3S,4S,6S,8S)-4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] prop-2-enoate
CID 138643060
(1-hydroxy-7-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) prop-2-enoate
CID 89201110
[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate
CID 160667012
[prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate
CID 22992618
[3-(2,3,3-trimethyl-1-bicyclo[2.2.1]heptanyl)cyclohexyl] prop-2-enoate
CID 135742548

Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-5-tetracyclo[4.4.1.01,4.02,8]undecanyl) prop-2-enoate?
The IUPAC name of (5-propan-2-yl-5-tetracyclo[4.4.1.01,4.02,8]undecanyl) prop-2-enoate (CID 163799664) is (5-propan-2-yl-5-tetracyclo[4.4.1.01,4.02,8]undecanyl) prop-2-enoate.
What is the SMILES notation for (5-propan-2-yl-5-tetracyclo[4.4.1.01,4.02,8]undecanyl) prop-2-enoate?
The canonical SMILES for (5-propan-2-yl-5-tetracyclo[4.4.1.01,4.02,8]undecanyl) prop-2-enoate is C=CC(=O)OC1(C(C)C)C2CC3CCC4(C2)C3CC41.
What is the InChIKey of (5-propan-2-yl-5-tetracyclo[4.4.1.01,4.02,8]undecanyl) prop-2-enoate?
The InChIKey is NDWOKROVLCFRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-15(18)19-17(10(2)3)12-7-11-5-6-16(9-12)13(11)8-14(16)17/h4,10-14H,1,5-9H2,2-3H3.
What are the key properties of (5-propan-2-yl-5-tetracyclo[4.4.1.01,4.02,8]undecanyl) prop-2-enoate?
(5-propan-2-yl-5-tetracyclo[4.4.1.01,4.02,8]undecanyl) prop-2-enoate has a molecular weight of 260.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-5-tetracyclo[4.4.1.01,4.02,8]undecanyl) prop-2-enoate is sourced from PubChem (CID 163799664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).