(4-methyl-8-tetracyclo[4.3.1.01,8.03,10]decanyl) 4-methylbenzoate

C19H22O2 — CID 146994451

IUPAC(4-methyl-8-tetracyclo[4.3.1.01,8.03,10]decanyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)OC23CC4CC(C)C5CC2(C3)C45)cc1
InChIInChI=1S/C19H22O2/c1-11-3-5-13(6-4-11)17(20)21-19-8-14-7-12(2)15-9-18(19,10-19)16(14)15/h3-6,12,14-16H,7-10H2,1-2H3
InChIKeyAQUUCHJQHGJOGI-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.98
Rot. Bonds2

About (4-methyl-8-tetracyclo[4.3.1.01,8.03,10]decanyl) 4-methylbenzoate

(4-methyl-8-tetracyclo[4.3.1.01,8.03,10]decanyl) 4-methylbenzoate (PubChem CID 146994451) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (4-methyl-8-tetracyclo[4.3.1.01,8.03,10]decanyl) 4-methylbenzoate.

Molecular Properties

Compound Name(4-methyl-8-tetracyclo[4.3.1.01,8.03,10]decanyl) 4-methylbenzoate
PubChem CID146994451
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(4-methyl-8-tetracyclo[4.3.1.01,8.03,10]decanyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)OC23CC4CC(C)C5CC2(C3)C45)cc1
InChIInChI=1S/C19H22O2/c1-11-3-5-13(6-4-11)17(20)21-19-8-14-7-12(2)15-9-18(19,10-19)16(14)15/h3-6,12,14-16H,7-10H2,1-2H3
InChIKeyAQUUCHJQHGJOGI-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-8-(4-methylphenyl)tetracyclo[4.3.1.01,8.03,10]decane
CID 162257621
1-tetracyclo[5.2.1.03,8.05,8]decanyl 4-methylbenzoate
CID 147562498
(3-methyl-1-adamantyl) 4-methylbenzoate
CID 59440669
[(10R)-6-sulfanyl-1-tetracyclo[6.3.1.03,10.05,10]dodecanyl] 4-methylbenzoate
CID 163590389
[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl] 4-[4-[[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]oxycarbonyl]phenyl]benzoate
CID 91269262
[10-(4-methylbenzoyl)oxy-9-tricyclo[6.2.1.02,7]undecanyl] 4-methylbenzoate
CID 166987267
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
phosphoroso 4-methylbenzoate
CID 91387591
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone
CID 12032685

Frequently Asked Questions

What is the IUPAC name of (4-methyl-8-tetracyclo[4.3.1.01,8.03,10]decanyl) 4-methylbenzoate?
The IUPAC name of (4-methyl-8-tetracyclo[4.3.1.01,8.03,10]decanyl) 4-methylbenzoate (CID 146994451) is (4-methyl-8-tetracyclo[4.3.1.01,8.03,10]decanyl) 4-methylbenzoate.
What is the SMILES notation for (4-methyl-8-tetracyclo[4.3.1.01,8.03,10]decanyl) 4-methylbenzoate?
The canonical SMILES for (4-methyl-8-tetracyclo[4.3.1.01,8.03,10]decanyl) 4-methylbenzoate is Cc1ccc(C(=O)OC23CC4CC(C)C5CC2(C3)C45)cc1.
What is the InChIKey of (4-methyl-8-tetracyclo[4.3.1.01,8.03,10]decanyl) 4-methylbenzoate?
The InChIKey is AQUUCHJQHGJOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-11-3-5-13(6-4-11)17(20)21-19-8-14-7-12(2)15-9-18(19,10-19)16(14)15/h3-6,12,14-16H,7-10H2,1-2H3.
What are the key properties of (4-methyl-8-tetracyclo[4.3.1.01,8.03,10]decanyl) 4-methylbenzoate?
(4-methyl-8-tetracyclo[4.3.1.01,8.03,10]decanyl) 4-methylbenzoate has a molecular weight of 282.38 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-8-tetracyclo[4.3.1.01,8.03,10]decanyl) 4-methylbenzoate is sourced from PubChem (CID 146994451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).