2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene

C15H26O — CID 6436993

IUPAC2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene
SMILESCCOC(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C15H26O/c1-6-16-13(3)9-10-14-12(2)8-7-11-15(14,4)5/h9-10,13H,6-8,11H2,1-5H3/b10-9+
InChIKeyBLSRPKXPUSFJDP-MDZDMXLPSA-N
MW222.37 g/mol
LogP4.49
Rot. Bonds4

About 2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene

2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene (PubChem CID 6436993) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene.

Molecular Properties

Compound Name2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene
PubChem CID6436993
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene
SMILESCCOC(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C15H26O/c1-6-16-13(3)9-10-14-12(2)8-7-11-15(14,4)5/h9-10,13H,6-8,11H2,1-5H3/b10-9+
InChIKeyBLSRPKXPUSFJDP-MDZDMXLPSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene?
The IUPAC name of 2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene (CID 6436993) is 2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene.
What is the SMILES notation for 2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene?
The canonical SMILES for 2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene is CCOC(C)/C=C/C1=C(C)CCCC1(C)C.
What is the InChIKey of 2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene?
The InChIKey is BLSRPKXPUSFJDP-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H26O/c1-6-16-13(3)9-10-14-12(2)8-7-11-15(14,4)5/h9-10,13H,6-8,11H2,1-5H3/b10-9+.
What are the key properties of 2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene?
2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene has a molecular weight of 222.37 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene is sourced from PubChem (CID 6436993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).