3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane

C17H34 — CID 145020168

IUPAC3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane
SMILESC/C=C(/C)C(C)CC.CC.CC1C=CCC1C
InChIInChI=1S/C8H16.C7H12.C2H6/c1-5-7(3)8(4)6-2;1-6-4-3-5-7(6)2;1-2/h5,8H,6H2,1-4H3;3-4,6-7H,5H2,1-2H3;1-2H3/b7-5-;;
InChIKeyPCNPWCAGEZBRBK-MWKZNRQPSA-N
MW238.46 g/mol
LogP6.24
Rot. Bonds2

About 3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane

3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane (PubChem CID 145020168) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane.

Molecular Properties

Compound Name3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane
PubChem CID145020168
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane
SMILESC/C=C(/C)C(C)CC.CC.CC1C=CCC1C
InChIInChI=1S/C8H16.C7H12.C2H6/c1-5-7(3)8(4)6-2;1-6-4-3-5-7(6)2;1-2/h5,8H,6H2,1-4H3;3-4,6-7H,5H2,1-2H3;1-2H3/b7-5-;;
InChIKeyPCNPWCAGEZBRBK-MWKZNRQPSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.24
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

(4S)-3,4-dimethylcyclopentene
CID 145216424
(4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene
CID 149377273
(Z)-4,5-dimethylhept-3-ene
CID 142511472
(5R)-6-ethyl-5-methylcyclohex-3-en-1-ol
CID 89393198
1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane
CID 91455933
5-methylcyclopent-2-en-1-ol
CID 23103323
(E)-3,4-dimethylpent-2-ene;ethene;propane
CID 178040270
(4E)-2,3,5,6-tetramethylocta-2,4-diene
CID 145376996
(E)-2,5,6-trimethyloct-4-ene
CID 144800486
1-[(1S,2S,6S)-2-ethyl-6-methylcyclohex-3-en-1-yl]ethanone
CID 67530837
4-methyl-3-propylcyclopentene
CID 91050594
methane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane
CID 144517685

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane?
The IUPAC name of 3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane (CID 145020168) is 3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane.
What is the SMILES notation for 3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane?
The canonical SMILES for 3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane is C/C=C(/C)C(C)CC.CC.CC1C=CCC1C.
What is the InChIKey of 3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane?
The InChIKey is PCNPWCAGEZBRBK-MWKZNRQPSA-N. The full InChI is InChI=1S/C8H16.C7H12.C2H6/c1-5-7(3)8(4)6-2;1-6-4-3-5-7(6)2;1-2/h5,8H,6H2,1-4H3;3-4,6-7H,5H2,1-2H3;1-2H3/b7-5-;;.
What are the key properties of 3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane?
3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane has a molecular weight of 238.46 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane is sourced from PubChem (CID 145020168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).