1-[(E)-but-1-enyl]-2-cyclohexylcyclohexane

C16H28 — CID 143133306

IUPAC1-[(E)-but-1-enyl]-2-cyclohexylcyclohexane
SMILESCC/C=C/C1CCCCC1C1CCCCC1
InChIInChI=1S/C16H28/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15/h3,9,14-16H,2,4-8,10-13H2,1H3/b9-3+
InChIKeyYBNVDWTXRWWFDN-YCRREMRBSA-N
MW220.40 g/mol
LogP5.34
Rot. Bonds3

About 1-[(E)-but-1-enyl]-2-cyclohexylcyclohexane

1-[(E)-but-1-enyl]-2-cyclohexylcyclohexane (PubChem CID 143133306) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-2-cyclohexylcyclohexane.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-2-cyclohexylcyclohexane
PubChem CID143133306
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-[(E)-but-1-enyl]-2-cyclohexylcyclohexane
SMILESCC/C=C/C1CCCCC1C1CCCCC1
InChIInChI=1S/C16H28/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15/h3,9,14-16H,2,4-8,10-13H2,1H3/b9-3+
InChIKeyYBNVDWTXRWWFDN-YCRREMRBSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.34
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

[(E)-but-1-enyl]cyclodecane
CID 173272598
1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene-5-carbaldehyde
CID 89125684
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine
CID 88992987
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
(2R)-2-but-1-enylbicyclo[2.2.1]heptane
CID 173350379
(E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine
CID 166929841
1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane
CID 173282196
1-cyclohexyl-2,3-diethylcyclohexane
CID 143331465
1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane
CID 143787282
2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552208
ethyl 3-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-1-yl)-2-methylprop-2-enoate
CID 175495215

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-2-cyclohexylcyclohexane?
The IUPAC name of 1-[(E)-but-1-enyl]-2-cyclohexylcyclohexane (CID 143133306) is 1-[(E)-but-1-enyl]-2-cyclohexylcyclohexane.
What is the SMILES notation for 1-[(E)-but-1-enyl]-2-cyclohexylcyclohexane?
The canonical SMILES for 1-[(E)-but-1-enyl]-2-cyclohexylcyclohexane is CC/C=C/C1CCCCC1C1CCCCC1.
What is the InChIKey of 1-[(E)-but-1-enyl]-2-cyclohexylcyclohexane?
The InChIKey is YBNVDWTXRWWFDN-YCRREMRBSA-N. The full InChI is InChI=1S/C16H28/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15/h3,9,14-16H,2,4-8,10-13H2,1H3/b9-3+.
What are the key properties of 1-[(E)-but-1-enyl]-2-cyclohexylcyclohexane?
1-[(E)-but-1-enyl]-2-cyclohexylcyclohexane has a molecular weight of 220.40 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-2-cyclohexylcyclohexane is sourced from PubChem (CID 143133306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).