1-methoxybut-3-enylcyclohexane

C11H20O — CID 10442090

IUPAC1-methoxybut-3-enylcyclohexane
SMILESC=CCC(OC)C1CCCCC1
InChIInChI=1S/C11H20O/c1-3-7-11(12-2)10-8-5-4-6-9-10/h3,10-11H,1,4-9H2,2H3
InChIKeyGEYOZLMZIQSBSO-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds4

About 1-methoxybut-3-enylcyclohexane

1-methoxybut-3-enylcyclohexane (PubChem CID 10442090) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-methoxybut-3-enylcyclohexane.

Molecular Properties

Compound Name1-methoxybut-3-enylcyclohexane
PubChem CID10442090
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-methoxybut-3-enylcyclohexane
SMILESC=CCC(OC)C1CCCCC1
InChIInChI=1S/C11H20O/c1-3-7-11(12-2)10-8-5-4-6-9-10/h3,10-11H,1,4-9H2,2H3
InChIKeyGEYOZLMZIQSBSO-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
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-methoxybut-3-enylcyclohexane?
The IUPAC name of 1-methoxybut-3-enylcyclohexane (CID 10442090) is 1-methoxybut-3-enylcyclohexane.
What is the SMILES notation for 1-methoxybut-3-enylcyclohexane?
The canonical SMILES for 1-methoxybut-3-enylcyclohexane is C=CCC(OC)C1CCCCC1.
What is the InChIKey of 1-methoxybut-3-enylcyclohexane?
The InChIKey is GEYOZLMZIQSBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-7-11(12-2)10-8-5-4-6-9-10/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 1-methoxybut-3-enylcyclohexane?
1-methoxybut-3-enylcyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybut-3-enylcyclohexane is sourced from PubChem (CID 10442090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).