6-methoxy-2-[2-(2-prop-2-enoxycyclohexyl)ethyl]cyclohexa-1,3-diene

C18H28O2 — CID 146438918

IUPAC6-methoxy-2-[2-(2-prop-2-enoxycyclohexyl)ethyl]cyclohexa-1,3-diene
SMILESC=CCOC1CCCCC1CCC1=CC(OC)CC=C1
InChIInChI=1S/C18H28O2/c1-3-13-20-18-10-5-4-8-16(18)12-11-15-7-6-9-17(14-15)19-2/h3,6-7,14,16-18H,1,4-5,8-13H2,2H3
InChIKeyGRGYAMOSUWBJNZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.43
Rot. Bonds7

About 6-methoxy-2-[2-(2-prop-2-enoxycyclohexyl)ethyl]cyclohexa-1,3-diene

6-methoxy-2-[2-(2-prop-2-enoxycyclohexyl)ethyl]cyclohexa-1,3-diene (PubChem CID 146438918) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 6-methoxy-2-[2-(2-prop-2-enoxycyclohexyl)ethyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-methoxy-2-[2-(2-prop-2-enoxycyclohexyl)ethyl]cyclohexa-1,3-diene
PubChem CID146438918
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name6-methoxy-2-[2-(2-prop-2-enoxycyclohexyl)ethyl]cyclohexa-1,3-diene
SMILESC=CCOC1CCCCC1CCC1=CC(OC)CC=C1
InChIInChI=1S/C18H28O2/c1-3-13-20-18-10-5-4-8-16(18)12-11-15-7-6-9-17(14-15)19-2/h3,6-7,14,16-18H,1,4-5,8-13H2,2H3
InChIKeyGRGYAMOSUWBJNZ-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-methoxy-2-[2-(2-prop-2-enoxycyclohexyl)ethyl]cyclohexa-1,3-diene?
The IUPAC name of 6-methoxy-2-[2-(2-prop-2-enoxycyclohexyl)ethyl]cyclohexa-1,3-diene (CID 146438918) is 6-methoxy-2-[2-(2-prop-2-enoxycyclohexyl)ethyl]cyclohexa-1,3-diene.
What is the SMILES notation for 6-methoxy-2-[2-(2-prop-2-enoxycyclohexyl)ethyl]cyclohexa-1,3-diene?
The canonical SMILES for 6-methoxy-2-[2-(2-prop-2-enoxycyclohexyl)ethyl]cyclohexa-1,3-diene is C=CCOC1CCCCC1CCC1=CC(OC)CC=C1.
What is the InChIKey of 6-methoxy-2-[2-(2-prop-2-enoxycyclohexyl)ethyl]cyclohexa-1,3-diene?
The InChIKey is GRGYAMOSUWBJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-3-13-20-18-10-5-4-8-16(18)12-11-15-7-6-9-17(14-15)19-2/h3,6-7,14,16-18H,1,4-5,8-13H2,2H3.
What are the key properties of 6-methoxy-2-[2-(2-prop-2-enoxycyclohexyl)ethyl]cyclohexa-1,3-diene?
6-methoxy-2-[2-(2-prop-2-enoxycyclohexyl)ethyl]cyclohexa-1,3-diene has a molecular weight of 276.42 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-(2-prop-2-enoxycyclohexyl)ethyl]cyclohexa-1,3-diene is sourced from PubChem (CID 146438918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).