1,3,5-tributyl-2-methylcyclopentene

C18H34 — CID 15482200

IUPAC1,3,5-tributyl-2-methylcyclopentene
SMILESCCCCC1=C(C)C(CCCC)CC1CCCC
InChIInChI=1S/C18H34/c1-5-8-11-16-14-17(12-9-6-2)18(15(16)4)13-10-7-3/h16-17H,5-14H2,1-4H3
InChIKeyYVUFAFKQJFNWRJ-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.51
Rot. Bonds9

About 1,3,5-tributyl-2-methylcyclopentene

1,3,5-tributyl-2-methylcyclopentene (PubChem CID 15482200) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1,3,5-tributyl-2-methylcyclopentene.

Molecular Properties

Compound Name1,3,5-tributyl-2-methylcyclopentene
PubChem CID15482200
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1,3,5-tributyl-2-methylcyclopentene
SMILESCCCCC1=C(C)C(CCCC)CC1CCCC
InChIInChI=1S/C18H34/c1-5-8-11-16-14-17(12-9-6-2)18(15(16)4)13-10-7-3/h16-17H,5-14H2,1-4H3
InChIKeyYVUFAFKQJFNWRJ-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.51
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

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2-butylcyclohexan-1-one;ethene
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CID 70874004
(2R)-2-pentylcyclohexan-1-one
CID 86310435
2-butylcyclopentan-1-one;methanamine
CID 174247706
2-butyl-4-(dimethylamino)cyclohexan-1-one
CID 150896185
(3S)-3-butyloxetan-2-one
CID 11491937
1-butyl-2-ethenylidenecyclopropane
CID 123771131
2-butylcyclopentan-1-one;N,N-dimethylmethanamine
CID 145289923
3-butyl-5-methyloxolan-2-one;ethane
CID 143288540
1,3,5-tributyl-2,4,6-trimethylbenzene
CID 123628431
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tributyl-2-methylcyclopentene?
The IUPAC name of 1,3,5-tributyl-2-methylcyclopentene (CID 15482200) is 1,3,5-tributyl-2-methylcyclopentene.
What is the SMILES notation for 1,3,5-tributyl-2-methylcyclopentene?
The canonical SMILES for 1,3,5-tributyl-2-methylcyclopentene is CCCCC1=C(C)C(CCCC)CC1CCCC.
What is the InChIKey of 1,3,5-tributyl-2-methylcyclopentene?
The InChIKey is YVUFAFKQJFNWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-5-8-11-16-14-17(12-9-6-2)18(15(16)4)13-10-7-3/h16-17H,5-14H2,1-4H3.
What are the key properties of 1,3,5-tributyl-2-methylcyclopentene?
1,3,5-tributyl-2-methylcyclopentene has a molecular weight of 250.47 g/mol, XLogP of 6.51, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tributyl-2-methylcyclopentene is sourced from PubChem (CID 15482200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).