3-[(E)-but-1-enoxy]cyclohexene

C10H16O — CID 10796939

IUPAC3-[(E)-but-1-enoxy]cyclohexene
SMILESCC/C=C/OC1C=CCCC1
InChIInChI=1S/C10H16O/c1-2-3-9-11-10-7-5-4-6-8-10/h3,5,7,9-10H,2,4,6,8H2,1H3/b9-3+
InChIKeyGENMDPQUPNAMES-YCRREMRBSA-N
MW152.24 g/mol
LogP3.04
Rot. Bonds3

About 3-[(E)-but-1-enoxy]cyclohexene

3-[(E)-but-1-enoxy]cyclohexene (PubChem CID 10796939) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-[(E)-but-1-enoxy]cyclohexene.

Molecular Properties

Compound Name3-[(E)-but-1-enoxy]cyclohexene
PubChem CID10796939
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-[(E)-but-1-enoxy]cyclohexene
SMILESCC/C=C/OC1C=CCCC1
InChIInChI=1S/C10H16O/c1-2-3-9-11-10-7-5-4-6-8-10/h3,5,7,9-10H,2,4,6,8H2,1H3/b9-3+
InChIKeyGENMDPQUPNAMES-YCRREMRBSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxycyclohex-1-ene
CID 137685
3-Ethoxycyclohexene
CID 285902
Tert-butyl cyclohex-2-en-1-yl ether
CID 287916
3,3'-Oxydi(cyclohex-1-ene)
CID 12322414
1-Prop-2-enoxycyclohexene
CID 12705671
3-(Propan-2-yloxy)cyclohexene
CID 230450
(E)-4-ethenoxyoct-2-ene
CID 12163450
3-Ethenoxyhept-1-ene
CID 12734624
(E)-2-(Prop-1-en-1-yl)tetrahydro-2H-pyran
CID 11412382
6-butyl-3,6-dihydro-2H-pyran
CID 12536732
(3RS,6RS)-3,6-Dimethoxy-cyclohexene
CID 12723453
(3R,6S)-3,6-Dimethoxy-cyclohexene
CID 12723454

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-1-enoxy]cyclohexene?
The IUPAC name of 3-[(E)-but-1-enoxy]cyclohexene (CID 10796939) is 3-[(E)-but-1-enoxy]cyclohexene.
What is the SMILES notation for 3-[(E)-but-1-enoxy]cyclohexene?
The canonical SMILES for 3-[(E)-but-1-enoxy]cyclohexene is CC/C=C/OC1C=CCCC1.
What is the InChIKey of 3-[(E)-but-1-enoxy]cyclohexene?
The InChIKey is GENMDPQUPNAMES-YCRREMRBSA-N. The full InChI is InChI=1S/C10H16O/c1-2-3-9-11-10-7-5-4-6-8-10/h3,5,7,9-10H,2,4,6,8H2,1H3/b9-3+.
What are the key properties of 3-[(E)-but-1-enoxy]cyclohexene?
3-[(E)-but-1-enoxy]cyclohexene has a molecular weight of 152.24 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-1-enoxy]cyclohexene is sourced from PubChem (CID 10796939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).