(1-hydroxy-7-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) prop-2-enoate

C18H24O3 — CID 89201110

IUPAC(1-hydroxy-7-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) prop-2-enoate
SMILESC=CC(=O)OC12CC3C4CC5CC3(C)C(C1)C(O)(C5)C4C2
InChIInChI=1S/C18H24O3/c1-3-15(19)21-17-7-12-11-4-10-5-16(12,2)14(9-17)18(20,6-10)13(11)8-17/h3,10-14,20H,1,4-9H2,2H3
InChIKeyRVLDSJQMBVFGSJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.68
Rot. Bonds2

About (1-hydroxy-7-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) prop-2-enoate

(1-hydroxy-7-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) prop-2-enoate (PubChem CID 89201110) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is (1-hydroxy-7-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) prop-2-enoate.

Molecular Properties

Compound Name(1-hydroxy-7-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) prop-2-enoate
PubChem CID89201110
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name(1-hydroxy-7-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) prop-2-enoate
SMILESC=CC(=O)OC12CC3C4CC5CC3(C)C(C1)C(O)(C5)C4C2
InChIInChI=1S/C18H24O3/c1-3-15(19)21-17-7-12-11-4-10-5-16(12,2)14(9-17)18(20,6-10)13(11)8-17/h3,10-14,20H,1,4-9H2,2H3
InChIKeyRVLDSJQMBVFGSJ-UHFFFAOYSA-N
XLogP2.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-7-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) prop-2-enoate?
The IUPAC name of (1-hydroxy-7-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) prop-2-enoate (CID 89201110) is (1-hydroxy-7-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) prop-2-enoate.
What is the SMILES notation for (1-hydroxy-7-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) prop-2-enoate?
The canonical SMILES for (1-hydroxy-7-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) prop-2-enoate is C=CC(=O)OC12CC3C4CC5CC3(C)C(C1)C(O)(C5)C4C2.
What is the InChIKey of (1-hydroxy-7-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) prop-2-enoate?
The InChIKey is RVLDSJQMBVFGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-3-15(19)21-17-7-12-11-4-10-5-16(12,2)14(9-17)18(20,6-10)13(11)8-17/h3,10-14,20H,1,4-9H2,2H3.
What are the key properties of (1-hydroxy-7-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) prop-2-enoate?
(1-hydroxy-7-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) prop-2-enoate has a molecular weight of 288.39 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-7-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) prop-2-enoate is sourced from PubChem (CID 89201110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).