3-(4-tert-butylcyclohexen-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one

C19H28O2 — CID 10637122

IUPAC3-(4-tert-butylcyclohexen-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC(C)(C)C1CC=C(C2=CC3(CCCCC3)OC2=O)CC1
InChIInChI=1S/C19H28O2/c1-18(2,3)15-9-7-14(8-10-15)16-13-19(21-17(16)20)11-5-4-6-12-19/h7,13,15H,4-6,8-12H2,1-3H3
InChIKeyBUJRORZWCQYMSE-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.95
Rot. Bonds1

About 3-(4-tert-butylcyclohexen-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one

3-(4-tert-butylcyclohexen-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 10637122) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-(4-tert-butylcyclohexen-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(4-tert-butylcyclohexen-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID10637122
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name3-(4-tert-butylcyclohexen-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC(C)(C)C1CC=C(C2=CC3(CCCCC3)OC2=O)CC1
InChIInChI=1S/C19H28O2/c1-18(2,3)15-9-7-14(8-10-15)16-13-19(21-17(16)20)11-5-4-6-12-19/h7,13,15H,4-6,8-12H2,1-3H3
InChIKeyBUJRORZWCQYMSE-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylcyclohexen-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(4-tert-butylcyclohexen-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one (CID 10637122) is 3-(4-tert-butylcyclohexen-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(4-tert-butylcyclohexen-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(4-tert-butylcyclohexen-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one is CC(C)(C)C1CC=C(C2=CC3(CCCCC3)OC2=O)CC1.
What is the InChIKey of 3-(4-tert-butylcyclohexen-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is BUJRORZWCQYMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-18(2,3)15-9-7-14(8-10-15)16-13-19(21-17(16)20)11-5-4-6-12-19/h7,13,15H,4-6,8-12H2,1-3H3.
What are the key properties of 3-(4-tert-butylcyclohexen-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one?
3-(4-tert-butylcyclohexen-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 288.43 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylcyclohexen-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 10637122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).