4-tert-butyl-1-ethoxycyclohexene

C12H22O — CID 11745269

IUPAC4-tert-butyl-1-ethoxycyclohexene
SMILESCCOC1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H22O/c1-5-13-11-8-6-10(7-9-11)12(2,3)4/h8,10H,5-7,9H2,1-4H3
InChIKeyVSAALZNNFXMSJP-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.75
Rot. Bonds2

About 4-tert-butyl-1-ethoxycyclohexene

4-tert-butyl-1-ethoxycyclohexene (PubChem CID 11745269) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-tert-butyl-1-ethoxycyclohexene.

Molecular Properties

Compound Name4-tert-butyl-1-ethoxycyclohexene
PubChem CID11745269
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4-tert-butyl-1-ethoxycyclohexene
SMILESCCOC1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H22O/c1-5-13-11-8-6-10(7-9-11)12(2,3)4/h8,10H,5-7,9H2,1-4H3
InChIKeyVSAALZNNFXMSJP-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethoxy-4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene
CID 118291
Cyclohexene, 4-(1,1-dimethylethyl)-1-methoxy-
CID 10975890
1-Ethoxy-3,3,5-trimethylcyclohex-1-ene
CID 11030239
(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene
CID 70355407
(4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene
CID 122448719
4-Fluoro-5-methyl-1-propan-2-yloxycyclohexene
CID 130216765
1-Methoxy-4,4-dimethyl-cyclohex-1-ene
CID 558759
1-Methoxy-3,5-dimethyl-cyclohexene
CID 580524
5,5-Dimethyl-3-ethoxy-2-cyclohexene-1-thione
CID 12468869
lithium (4S)-4-tert-butylcyclohexen-1-olate
CID 23691561
(4S)-1-methoxy-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexene
CID 53259840
lithium (4R)-4-tert-butylcyclohexen-1-olate
CID 102585708

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-ethoxycyclohexene?
The IUPAC name of 4-tert-butyl-1-ethoxycyclohexene (CID 11745269) is 4-tert-butyl-1-ethoxycyclohexene.
What is the SMILES notation for 4-tert-butyl-1-ethoxycyclohexene?
The canonical SMILES for 4-tert-butyl-1-ethoxycyclohexene is CCOC1=CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-ethoxycyclohexene?
The InChIKey is VSAALZNNFXMSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-13-11-8-6-10(7-9-11)12(2,3)4/h8,10H,5-7,9H2,1-4H3.
What are the key properties of 4-tert-butyl-1-ethoxycyclohexene?
4-tert-butyl-1-ethoxycyclohexene has a molecular weight of 182.31 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-ethoxycyclohexene is sourced from PubChem (CID 11745269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).