4-tert-butyl-1-methoxycyclohexene

C11H20O — CID 10975890

IUPAC4-tert-butyl-1-methoxycyclohexene
SMILESCOC1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H20O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h7,9H,5-6,8H2,1-4H3
InChIKeyLLHPGUCMKOBEDD-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.36
Rot. Bonds1

About 4-tert-butyl-1-methoxycyclohexene

4-tert-butyl-1-methoxycyclohexene (PubChem CID 10975890) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-tert-butyl-1-methoxycyclohexene.

Molecular Properties

Compound Name4-tert-butyl-1-methoxycyclohexene
PubChem CID10975890
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-tert-butyl-1-methoxycyclohexene
SMILESCOC1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H20O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h7,9H,5-6,8H2,1-4H3
InChIKeyLLHPGUCMKOBEDD-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.36
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
1-Methoxy-5-(2-methylpropyl)cyclohexa-1,4-diene
CID 177853456
2-Methoxy-3-methylcyclohexene
CID 519381
4-tert-Butylcyclohexanolen
CID 12611406
1-Ethoxy-3,3,5-trimethylcyclohex-1-ene
CID 11030239
1-(Fluoromethoxy)-4-methylcyclohexene
CID 21337853
1-Tert-butyl-2-fluoro-4-methoxy-6-methylcyclohexa-1,3-diene
CID 166796244
1-Methoxy-4,4-dimethyl-cyclohex-1-ene
CID 558759
1-Methoxy-3,5-dimethyl-cyclohexene
CID 580524
1-Methoxy-3,3-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexene
CID 12003841
lithium (4S)-4-tert-butylcyclohexen-1-olate
CID 23691561
(4R)-1-methoxy-3,3-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexene
CID 53259839

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methoxycyclohexene?
The IUPAC name of 4-tert-butyl-1-methoxycyclohexene (CID 10975890) is 4-tert-butyl-1-methoxycyclohexene.
What is the SMILES notation for 4-tert-butyl-1-methoxycyclohexene?
The canonical SMILES for 4-tert-butyl-1-methoxycyclohexene is COC1=CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-methoxycyclohexene?
The InChIKey is LLHPGUCMKOBEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h7,9H,5-6,8H2,1-4H3.
What are the key properties of 4-tert-butyl-1-methoxycyclohexene?
4-tert-butyl-1-methoxycyclohexene has a molecular weight of 168.28 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methoxycyclohexene is sourced from PubChem (CID 10975890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).