(1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate

C20H28O2 — CID 90246880

IUPAC(1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1(C)c2ccccc2CCC12CCCCC2
InChIInChI=1S/C20H28O2/c1-15(2)18(21)22-19(3)17-10-6-5-9-16(17)11-14-20(19)12-7-4-8-13-20/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3
InChIKeyYXKOGZSECVIJCE-UHFFFAOYSA-N
MW300.44 g/mol
LogP5.00
Rot. Bonds2

About (1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate

(1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate (PubChem CID 90246880) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is (1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate
PubChem CID90246880
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name(1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1(C)c2ccccc2CCC12CCCCC2
InChIInChI=1S/C20H28O2/c1-15(2)18(21)22-19(3)17-10-6-5-9-16(17)11-14-20(19)12-7-4-8-13-20/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3
InChIKeyYXKOGZSECVIJCE-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate?
The IUPAC name of (1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate (CID 90246880) is (1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate.
What is the SMILES notation for (1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate?
The canonical SMILES for (1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate is CC(C)C(=O)OC1(C)c2ccccc2CCC12CCCCC2.
What is the InChIKey of (1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate?
The InChIKey is YXKOGZSECVIJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2/c1-15(2)18(21)22-19(3)17-10-6-5-9-16(17)11-14-20(19)12-7-4-8-13-20/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3.
What are the key properties of (1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate?
(1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate has a molecular weight of 300.44 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate is sourced from PubChem (CID 90246880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).