1-ethyl-3-methylcyclopentene;methane

C9H18 — CID 161172623

IUPAC1-ethyl-3-methylcyclopentene;methane
SMILESC.CCC1=CC(C)CC1
InChIInChI=1S/C8H14.CH4/c1-3-8-5-4-7(2)6-8;/h6-7H,3-5H2,1-2H3;1H4
InChIKeyURJREYCVANMBLX-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.39
Rot. Bonds1

About 1-ethyl-3-methylcyclopentene;methane

1-ethyl-3-methylcyclopentene;methane (PubChem CID 161172623) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1-ethyl-3-methylcyclopentene;methane.

Molecular Properties

Compound Name1-ethyl-3-methylcyclopentene;methane
PubChem CID161172623
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1-ethyl-3-methylcyclopentene;methane
SMILESC.CCC1=CC(C)CC1
InChIInChI=1S/C8H14.CH4/c1-3-8-5-4-7(2)6-8;/h6-7H,3-5H2,1-2H3;1H4
InChIKeyURJREYCVANMBLX-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.39
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

(1R)-3-ethylcyclohex-2-en-1-ol
CID 11252010
3-methylcyclopenten-1-olate
CID 101379344
1-ethyl-4-(4-methylcyclohexyl)cyclohexene
CID 148827626
1-ethyl-3,4-dimethylcycloocta-1,4-diene
CID 123921718
4-ethyl-2-hydroxycyclohex-3-en-1-one
CID 173450667
4-ethylcyclohept-4-en-1-ol
CID 91248239
2-(3-ethylcyclohex-2-en-1-yl)acetaldehyde
CID 59679582
1-(ethenoxymethyl)-3-methylcyclohexene
CID 102248116
2-[(1E,3R)-3-methylcyclopentadecen-1-yl]acetic acid
CID 87572402
(6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde
CID 10442023
(3R,6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde
CID 101236983
1-ethyl-5-methylcyclohexa-1,3-diene
CID 123887743

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylcyclopentene;methane?
The IUPAC name of 1-ethyl-3-methylcyclopentene;methane (CID 161172623) is 1-ethyl-3-methylcyclopentene;methane.
What is the SMILES notation for 1-ethyl-3-methylcyclopentene;methane?
The canonical SMILES for 1-ethyl-3-methylcyclopentene;methane is C.CCC1=CC(C)CC1.
What is the InChIKey of 1-ethyl-3-methylcyclopentene;methane?
The InChIKey is URJREYCVANMBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.CH4/c1-3-8-5-4-7(2)6-8;/h6-7H,3-5H2,1-2H3;1H4.
What are the key properties of 1-ethyl-3-methylcyclopentene;methane?
1-ethyl-3-methylcyclopentene;methane has a molecular weight of 126.24 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylcyclopentene;methane is sourced from PubChem (CID 161172623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).