1-(1-ethyl-3,5,5-trimethylcyclohex-3-en-1-yl)-2-methoxybenzene

C18H26O — CID 71084223

IUPAC1-(1-ethyl-3,5,5-trimethylcyclohex-3-en-1-yl)-2-methoxybenzene
SMILESCCC1(c2ccccc2OC)CC(C)=CC(C)(C)C1
InChIInChI=1S/C18H26O/c1-6-18(12-14(2)11-17(3,4)13-18)15-9-7-8-10-16(15)19-5/h7-11H,6,12-13H2,1-5H3
InChIKeyNBGIICIPZMMJBU-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.11
Rot. Bonds3

About 1-(1-ethyl-3,5,5-trimethylcyclohex-3-en-1-yl)-2-methoxybenzene

1-(1-ethyl-3,5,5-trimethylcyclohex-3-en-1-yl)-2-methoxybenzene (PubChem CID 71084223) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(1-ethyl-3,5,5-trimethylcyclohex-3-en-1-yl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(1-ethyl-3,5,5-trimethylcyclohex-3-en-1-yl)-2-methoxybenzene
PubChem CID71084223
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-(1-ethyl-3,5,5-trimethylcyclohex-3-en-1-yl)-2-methoxybenzene
SMILESCCC1(c2ccccc2OC)CC(C)=CC(C)(C)C1
InChIInChI=1S/C18H26O/c1-6-18(12-14(2)11-17(3,4)13-18)15-9-7-8-10-16(15)19-5/h7-11H,6,12-13H2,1-5H3
InChIKeyNBGIICIPZMMJBU-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,5,5-trimethylcyclohex-3-en-1-yl)-2-methoxybenzene?
The IUPAC name of 1-(1-ethyl-3,5,5-trimethylcyclohex-3-en-1-yl)-2-methoxybenzene (CID 71084223) is 1-(1-ethyl-3,5,5-trimethylcyclohex-3-en-1-yl)-2-methoxybenzene.
What is the SMILES notation for 1-(1-ethyl-3,5,5-trimethylcyclohex-3-en-1-yl)-2-methoxybenzene?
The canonical SMILES for 1-(1-ethyl-3,5,5-trimethylcyclohex-3-en-1-yl)-2-methoxybenzene is CCC1(c2ccccc2OC)CC(C)=CC(C)(C)C1.
What is the InChIKey of 1-(1-ethyl-3,5,5-trimethylcyclohex-3-en-1-yl)-2-methoxybenzene?
The InChIKey is NBGIICIPZMMJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-6-18(12-14(2)11-17(3,4)13-18)15-9-7-8-10-16(15)19-5/h7-11H,6,12-13H2,1-5H3.
What are the key properties of 1-(1-ethyl-3,5,5-trimethylcyclohex-3-en-1-yl)-2-methoxybenzene?
1-(1-ethyl-3,5,5-trimethylcyclohex-3-en-1-yl)-2-methoxybenzene has a molecular weight of 258.40 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,5,5-trimethylcyclohex-3-en-1-yl)-2-methoxybenzene is sourced from PubChem (CID 71084223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).