1-but-2-enoxy-2-methylcyclohexane

C11H20O — CID 54535884

IUPAC1-but-2-enoxy-2-methylcyclohexane
SMILESCC=CCOC1CCCCC1C
InChIInChI=1S/C11H20O/c1-3-4-9-12-11-8-6-5-7-10(11)2/h3-4,10-11H,5-9H2,1-2H3
InChIKeyIWQHCSCTNKDZIV-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds3

About 1-but-2-enoxy-2-methylcyclohexane

1-but-2-enoxy-2-methylcyclohexane (PubChem CID 54535884) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-but-2-enoxy-2-methylcyclohexane.

Molecular Properties

Compound Name1-but-2-enoxy-2-methylcyclohexane
PubChem CID54535884
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-but-2-enoxy-2-methylcyclohexane
SMILESCC=CCOC1CCCCC1C
InChIInChI=1S/C11H20O/c1-3-4-9-12-11-8-6-5-7-10(11)2/h3-4,10-11H,5-9H2,1-2H3
InChIKeyIWQHCSCTNKDZIV-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

1-But-2-enoxy-2,3-difluoro-4-methylcyclohexane
CID 71099918
1-[(E)-but-2-enoxy]-2,3-difluoro-4-methylcyclohexane
CID 124170367
1-Ethenyl-2-prop-2-enoxycyclohexane
CID 85230272
1-[(Z)-but-2-enoxy]-2,3-difluoro-4-methylcyclohexane
CID 157777488
1,1,3,3-Tetramethyl-2-[(prop-2-en-1-yl)oxy]cyclohexane
CID 71418055
1-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane
CID 18689146
1-[(2E,4E)-hexa-2,4-dienoxy]-4-pentylcyclohexane
CID 18689165
1-Methyl-1-prop-2-enoxycyclohexane
CID 20283471
1-Methyl-4-(prop-2-enoxymethyl)cyclohexane
CID 20670945
Prop-2-enoxymethylcyclohexane
CID 21644955
1-Methyl-4-prop-2-enoxycyclohexane
CID 23381126
1-Hexa-2,4-dienoxy-4-pentylcyclohexane
CID 54337499

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enoxy-2-methylcyclohexane?
The IUPAC name of 1-but-2-enoxy-2-methylcyclohexane (CID 54535884) is 1-but-2-enoxy-2-methylcyclohexane.
What is the SMILES notation for 1-but-2-enoxy-2-methylcyclohexane?
The canonical SMILES for 1-but-2-enoxy-2-methylcyclohexane is CC=CCOC1CCCCC1C.
What is the InChIKey of 1-but-2-enoxy-2-methylcyclohexane?
The InChIKey is IWQHCSCTNKDZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-9-12-11-8-6-5-7-10(11)2/h3-4,10-11H,5-9H2,1-2H3.
What are the key properties of 1-but-2-enoxy-2-methylcyclohexane?
1-but-2-enoxy-2-methylcyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enoxy-2-methylcyclohexane is sourced from PubChem (CID 54535884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).