1-methoxy-2,3-dimethyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane

C19H34O2 — CID 122549546

IUPAC1-methoxy-2,3-dimethyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane
SMILESC/C=C/C1CCC(COC2CCC(OC)C(C)C2C)CC1
InChIInChI=1S/C19H34O2/c1-5-6-16-7-9-17(10-8-16)13-21-19-12-11-18(20-4)14(2)15(19)3/h5-6,14-19H,7-13H2,1-4H3/b6-5+
InChIKeyQKJSNARJMUKCAL-AATRIKPKSA-N
MW294.48 g/mol
LogP4.84
Rot. Bonds5

About 1-methoxy-2,3-dimethyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane

1-methoxy-2,3-dimethyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane (PubChem CID 122549546) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-methoxy-2,3-dimethyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane.

Molecular Properties

Compound Name1-methoxy-2,3-dimethyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane
PubChem CID122549546
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name1-methoxy-2,3-dimethyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane
SMILESC/C=C/C1CCC(COC2CCC(OC)C(C)C2C)CC1
InChIInChI=1S/C19H34O2/c1-5-6-16-7-9-17(10-8-16)13-21-19-12-11-18(20-4)14(2)15(19)3/h5-6,14-19H,7-13H2,1-4H3/b6-5+
InChIKeyQKJSNARJMUKCAL-AATRIKPKSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.84
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 1-methoxy-2,3-dimethyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane?
The IUPAC name of 1-methoxy-2,3-dimethyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane (CID 122549546) is 1-methoxy-2,3-dimethyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane.
What is the SMILES notation for 1-methoxy-2,3-dimethyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane?
The canonical SMILES for 1-methoxy-2,3-dimethyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane is C/C=C/C1CCC(COC2CCC(OC)C(C)C2C)CC1.
What is the InChIKey of 1-methoxy-2,3-dimethyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane?
The InChIKey is QKJSNARJMUKCAL-AATRIKPKSA-N. The full InChI is InChI=1S/C19H34O2/c1-5-6-16-7-9-17(10-8-16)13-21-19-12-11-18(20-4)14(2)15(19)3/h5-6,14-19H,7-13H2,1-4H3/b6-5+.
What are the key properties of 1-methoxy-2,3-dimethyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane?
1-methoxy-2,3-dimethyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane has a molecular weight of 294.48 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3-dimethyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane is sourced from PubChem (CID 122549546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).