6-ethenyl-1-ethylcycloheptene

C11H18 — CID 141316473

IUPAC6-ethenyl-1-ethylcycloheptene
SMILESC=CC1CCCC=C(CC)C1
InChIInChI=1S/C11H18/c1-3-10-7-5-6-8-11(4-2)9-10/h3,8,10H,1,4-7,9H2,2H3
InChIKeyROURDRQAQFMSBT-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds2

About 6-ethenyl-1-ethylcycloheptene

6-ethenyl-1-ethylcycloheptene (PubChem CID 141316473) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 6-ethenyl-1-ethylcycloheptene.

Molecular Properties

Compound Name6-ethenyl-1-ethylcycloheptene
PubChem CID141316473
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name6-ethenyl-1-ethylcycloheptene
SMILESC=CC1CCCC=C(CC)C1
InChIInChI=1S/C11H18/c1-3-10-7-5-6-8-11(4-2)9-10/h3,8,10H,1,4-7,9H2,2H3
InChIKeyROURDRQAQFMSBT-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.70
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-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene
CID 59765969
5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene
CID 143250465
1-ethenyl-3-methylidenecyclohexane
CID 146681743
ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene
CID 143264165
ethenylcyclotetradecane
CID 123915888
ethenylcyclononane
CID 123465789
acetylene;ethane;ethene;4-ethenyl-1-ethylcyclopentene;1-ethyl-4-methyl-2-(2-methylbutan-2-yl)cyclopentane;2-methylpropane;propane
CID 143325670
6-ethyl-1-[(Z)-prop-1-enyl]cyclohexene
CID 173478560
prop-2-enyl 3-methylcyclohept-3-ene-1-carboxylate
CID 68784824
4-ethylcyclohept-4-en-1-ol
CID 91248239
3-ethenylcyclopentadecan-1-one
CID 11345719
prop-2-enylcyclopentane;1-prop-2-enylcyclopentene;propylcyclopentane;1-propylcyclopentene
CID 157231864

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1-ethylcycloheptene?
The IUPAC name of 6-ethenyl-1-ethylcycloheptene (CID 141316473) is 6-ethenyl-1-ethylcycloheptene.
What is the SMILES notation for 6-ethenyl-1-ethylcycloheptene?
The canonical SMILES for 6-ethenyl-1-ethylcycloheptene is C=CC1CCCC=C(CC)C1.
What is the InChIKey of 6-ethenyl-1-ethylcycloheptene?
The InChIKey is ROURDRQAQFMSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-10-7-5-6-8-11(4-2)9-10/h3,8,10H,1,4-7,9H2,2H3.
What are the key properties of 6-ethenyl-1-ethylcycloheptene?
6-ethenyl-1-ethylcycloheptene has a molecular weight of 150.26 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1-ethylcycloheptene is sourced from PubChem (CID 141316473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).