benzene;1,2-dimethylcyclopentene;ethane

C15H24 — CID 164574417

IUPACbenzene;1,2-dimethylcyclopentene;ethane
SMILESCC.CC1=C(C)CCC1.c1ccccc1
InChIInChI=1S/C7H12.C6H6.C2H6/c1-6-4-3-5-7(6)2;1-2-4-6-5-3-1;1-2/h3-5H2,1-2H3;1-6H;1-2H3
InChIKeyDYAJVXDNTKKJFA-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.22
Rot. Bonds

About benzene;1,2-dimethylcyclopentene;ethane

benzene;1,2-dimethylcyclopentene;ethane (PubChem CID 164574417) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is benzene;1,2-dimethylcyclopentene;ethane.

Molecular Properties

Compound Namebenzene;1,2-dimethylcyclopentene;ethane
PubChem CID164574417
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Namebenzene;1,2-dimethylcyclopentene;ethane
SMILESCC.CC1=C(C)CCC1.c1ccccc1
InChIInChI=1S/C7H12.C6H6.C2H6/c1-6-4-3-5-7(6)2;1-2-4-6-5-3-1;1-2/h3-5H2,1-2H3;1-6H;1-2H3
InChIKeyDYAJVXDNTKKJFA-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.22
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

1,2-dimethylcyclopentene;molecular fluorine
CID 157100565
benzene;cyclohexane;ethane
CID 158121349
ethane;1-methyl-2-propan-2-ylcyclopentene
CID 145236747
3-methyl-2-phenoxycyclohex-2-en-1-one
CID 139765949
benzene;ethane
CID 175503526
benzene;ethane
CID 18504552
2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene
CID 159704202
2-(2-methylcyclopenten-1-yl)benzenethiol
CID 118335227
1-methyl-3-(2-methylcyclopenten-1-yl)benzene
CID 10866804
methylidenecyclohexane;toluene
CID 174391780
4,8-dimethyl-2-phenyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole
CID 142318807
N-(2-methylcyclopenten-1-yl)ethanimidoyl bromide
CID 134181083

Frequently Asked Questions

What is the IUPAC name of benzene;1,2-dimethylcyclopentene;ethane?
The IUPAC name of benzene;1,2-dimethylcyclopentene;ethane (CID 164574417) is benzene;1,2-dimethylcyclopentene;ethane.
What is the SMILES notation for benzene;1,2-dimethylcyclopentene;ethane?
The canonical SMILES for benzene;1,2-dimethylcyclopentene;ethane is CC.CC1=C(C)CCC1.c1ccccc1.
What is the InChIKey of benzene;1,2-dimethylcyclopentene;ethane?
The InChIKey is DYAJVXDNTKKJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C6H6.C2H6/c1-6-4-3-5-7(6)2;1-2-4-6-5-3-1;1-2/h3-5H2,1-2H3;1-6H;1-2H3.
What are the key properties of benzene;1,2-dimethylcyclopentene;ethane?
benzene;1,2-dimethylcyclopentene;ethane has a molecular weight of 204.36 g/mol, XLogP of 5.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,2-dimethylcyclopentene;ethane is sourced from PubChem (CID 164574417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).