5-hexyl-3,3-dimethylcyclopentene

C13H24 — CID 565483

IUPAC5-hexyl-3,3-dimethylcyclopentene
SMILESCCCCCCC1C=CC(C)(C)C1
InChIInChI=1S/C13H24/c1-4-5-6-7-8-12-9-10-13(2,3)11-12/h9-10,12H,4-8,11H2,1-3H3
InChIKeySWOOZOAQRTZTAL-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.56
Rot. Bonds5

About 5-hexyl-3,3-dimethylcyclopentene

5-hexyl-3,3-dimethylcyclopentene (PubChem CID 565483) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 5-hexyl-3,3-dimethylcyclopentene.

Molecular Properties

Compound Name5-hexyl-3,3-dimethylcyclopentene
PubChem CID565483
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name5-hexyl-3,3-dimethylcyclopentene
SMILESCCCCCCC1C=CC(C)(C)C1
InChIInChI=1S/C13H24/c1-4-5-6-7-8-12-9-10-13(2,3)11-12/h9-10,12H,4-8,11H2,1-3H3
InChIKeySWOOZOAQRTZTAL-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Elemene
CID 12309449
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
Trichodiene
CID 114857
Daucene
CID 177773
beta-Thujene
CID 520384
gamma-HIMACHALENE
CID 577062
beta-Himachalene
CID 11586487
Sesquithujene
CID 25147318
3,5,5-Trimethylcyclohexene
CID 79132
Premnaspirodiene
CID 14355861
(S)-beta-Macrocarpene
CID 49859620
Bazzanene
CID 179421

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-3,3-dimethylcyclopentene?
The IUPAC name of 5-hexyl-3,3-dimethylcyclopentene (CID 565483) is 5-hexyl-3,3-dimethylcyclopentene.
What is the SMILES notation for 5-hexyl-3,3-dimethylcyclopentene?
The canonical SMILES for 5-hexyl-3,3-dimethylcyclopentene is CCCCCCC1C=CC(C)(C)C1.
What is the InChIKey of 5-hexyl-3,3-dimethylcyclopentene?
The InChIKey is SWOOZOAQRTZTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-5-6-7-8-12-9-10-13(2,3)11-12/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 5-hexyl-3,3-dimethylcyclopentene?
5-hexyl-3,3-dimethylcyclopentene has a molecular weight of 180.33 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-3,3-dimethylcyclopentene is sourced from PubChem (CID 565483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).