[(E)-but-1-enyl]cyclodecane

C14H26 — CID 173272598

IUPAC[(E)-but-1-enyl]cyclodecane
SMILESCC/C=C/C1CCCCCCCCC1
InChIInChI=1S/C14H26/c1-2-3-11-14-12-9-7-5-4-6-8-10-13-14/h3,11,14H,2,4-10,12-13H2,1H3/b11-3+
InChIKeyPIICOSDCMVCOHL-QDEBKDIKSA-N
MW194.36 g/mol
LogP5.09
Rot. Bonds2

About [(E)-but-1-enyl]cyclodecane

[(E)-but-1-enyl]cyclodecane (PubChem CID 173272598) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is [(E)-but-1-enyl]cyclodecane.

Molecular Properties

Compound Name[(E)-but-1-enyl]cyclodecane
PubChem CID173272598
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name[(E)-but-1-enyl]cyclodecane
SMILESCC/C=C/C1CCCCCCCCC1
InChIInChI=1S/C14H26/c1-2-3-11-14-12-9-7-5-4-6-8-10-13-14/h3,11,14H,2,4-10,12-13H2,1H3/b11-3+
InChIKeyPIICOSDCMVCOHL-QDEBKDIKSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.09
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-[(E)-but-1-enyl]-4-methylcyclohexane
CID 21137229
3-cyclopentylprop-2-en-1-amine
CID 54310760
4-[(E)-but-1-enyl]piperidine
CID 22015652
4-[(E)-but-1-enyl]cyclohexan-1-ol
CID 19739340
3-cyclohexylprop-2-ene-1-thiol
CID 54572501
2-cyclohexylethenylcyclohexane
CID 4124459
1-[(E)-but-1-enyl]-4-methoxycyclohexane
CID 149274595
non-1-enylcyclopentane
CID 86065492
1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane
CID 158214961
3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine
CID 79348258
2-[(Z)-but-1-enyl]spiro[3.5]nonane
CID 163914586
[(E)-4-bromobut-1-enyl]cycloheptane
CID 82934609

Frequently Asked Questions

What is the IUPAC name of [(E)-but-1-enyl]cyclodecane?
The IUPAC name of [(E)-but-1-enyl]cyclodecane (CID 173272598) is [(E)-but-1-enyl]cyclodecane.
What is the SMILES notation for [(E)-but-1-enyl]cyclodecane?
The canonical SMILES for [(E)-but-1-enyl]cyclodecane is CC/C=C/C1CCCCCCCCC1.
What is the InChIKey of [(E)-but-1-enyl]cyclodecane?
The InChIKey is PIICOSDCMVCOHL-QDEBKDIKSA-N. The full InChI is InChI=1S/C14H26/c1-2-3-11-14-12-9-7-5-4-6-8-10-13-14/h3,11,14H,2,4-10,12-13H2,1H3/b11-3+.
What are the key properties of [(E)-but-1-enyl]cyclodecane?
[(E)-but-1-enyl]cyclodecane has a molecular weight of 194.36 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-1-enyl]cyclodecane is sourced from PubChem (CID 173272598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).