1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane

C13H26 — CID 143661661

IUPAC1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane
SMILESC/C=C/CC1CCCCC1C.CC
InChIInChI=1S/C11H20.C2H6/c1-3-4-8-11-9-6-5-7-10(11)2;1-2/h3-4,10-11H,5-9H2,1-2H3;1-2H3/b4-3+;
InChIKeyRCRXTZWVYGDDMH-BJILWQEISA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds2

About 1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane

1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane (PubChem CID 143661661) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane
PubChem CID143661661
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane
SMILESC/C=C/CC1CCCCC1C.CC
InChIInChI=1S/C11H20.C2H6/c1-3-4-8-11-9-6-5-7-10(11)2;1-2/h3-4,10-11H,5-9H2,1-2H3;1-2H3/b4-3+;
InChIKeyRCRXTZWVYGDDMH-BJILWQEISA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-but-2-enyl]-2-methylcyclopropane
CID 143324867
(2S)-1-but-2-enyl-2-methylcyclopropane
CID 59524462
1-methyl-2-prop-2-enylcyclohexane
CID 15643404
ethane;2-[(2R)-2-methylcyclopentyl]acetaldehyde
CID 143647546
1-methyl-2-penta-2,4-dienylcyclopentane
CID 162303686
1-but-2-enyl-2-chlorocyclopentane
CID 137320262
(2-methylcyclodecyl)methanamine
CID 163635360
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane
CID 124509523
1,2,16-triethyl-15-methylcyclopentatriacontane
CID 123855410
2-(2-methylcyclopentyl)ethylcyclohexane
CID 134865391
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane?
The IUPAC name of 1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane (CID 143661661) is 1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane.
What is the SMILES notation for 1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane?
The canonical SMILES for 1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane is C/C=C/CC1CCCCC1C.CC.
What is the InChIKey of 1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane?
The InChIKey is RCRXTZWVYGDDMH-BJILWQEISA-N. The full InChI is InChI=1S/C11H20.C2H6/c1-3-4-8-11-9-6-5-7-10(11)2;1-2/h3-4,10-11H,5-9H2,1-2H3;1-2H3/b4-3+;.
What are the key properties of 1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane?
1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane has a molecular weight of 182.35 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane is sourced from PubChem (CID 143661661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).