1-(1-butoxyethenyl)cyclohexene

C12H20O — CID 11019469

IUPAC1-(1-butoxyethenyl)cyclohexene
SMILESC=C(OCCCC)C1=CCCCC1
InChIInChI=1S/C12H20O/c1-3-4-10-13-11(2)12-8-6-5-7-9-12/h8H,2-7,9-10H2,1H3
InChIKeyFXOCLXBWZYBXNR-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.82
Rot. Bonds5

About 1-(1-butoxyethenyl)cyclohexene

1-(1-butoxyethenyl)cyclohexene (PubChem CID 11019469) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(1-butoxyethenyl)cyclohexene.

Molecular Properties

Compound Name1-(1-butoxyethenyl)cyclohexene
PubChem CID11019469
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-(1-butoxyethenyl)cyclohexene
SMILESC=C(OCCCC)C1=CCCCC1
InChIInChI=1S/C12H20O/c1-3-4-10-13-11(2)12-8-6-5-7-9-12/h8H,2-7,9-10H2,1H3
InChIKeyFXOCLXBWZYBXNR-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2H-Pyran, 3,6-dihydro-4-(4-methyl-3-penten-1-yl)-
CID 91909
1-(1-Ethoxy-vinyl)-cyclohexene
CID 14296312
3-Pentyl-2,5-dihydrofuran
CID 15647309
1-[(1E)-1-ethoxybuta-1,3-dienyl]cyclohexene
CID 11229119
3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran
CID 11832235
1-(1-Butoxyethenyl)cyclopentene
CID 14296313
2-Butoxy-4-ethyl-1,3-hexadiene
CID 14296314
(2R,6R)-2-(2-methylprop-1-enyl)-6-pentyloxane
CID 101500817
3-Hexyl-2,5-dihydrofuran
CID 15647310
4-Ethyl-2-heptyl-2,5-dihydrofuran
CID 57702334
7-Oxabicycloheptene
CID 66665834
2-heptyl-3,4-dimethyl-2H-pyran
CID 67283434

Frequently Asked Questions

What is the IUPAC name of 1-(1-butoxyethenyl)cyclohexene?
The IUPAC name of 1-(1-butoxyethenyl)cyclohexene (CID 11019469) is 1-(1-butoxyethenyl)cyclohexene.
What is the SMILES notation for 1-(1-butoxyethenyl)cyclohexene?
The canonical SMILES for 1-(1-butoxyethenyl)cyclohexene is C=C(OCCCC)C1=CCCCC1.
What is the InChIKey of 1-(1-butoxyethenyl)cyclohexene?
The InChIKey is FXOCLXBWZYBXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-4-10-13-11(2)12-8-6-5-7-9-12/h8H,2-7,9-10H2,1H3.
What are the key properties of 1-(1-butoxyethenyl)cyclohexene?
1-(1-butoxyethenyl)cyclohexene has a molecular weight of 180.29 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butoxyethenyl)cyclohexene is sourced from PubChem (CID 11019469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).