1-hexylcyclobutene

C10H18 — CID 86205685

IUPAC1-hexylcyclobutene
SMILESCCCCCCC1=CCC1
InChIInChI=1S/C10H18/c1-2-3-4-5-7-10-8-6-9-10/h8H,2-7,9H2,1H3
InChIKeyBBTZUCHGNFZHRP-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.68
Rot. Bonds5

About 1-hexylcyclobutene

1-hexylcyclobutene (PubChem CID 86205685) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-hexylcyclobutene.

Molecular Properties

Compound Name1-hexylcyclobutene
PubChem CID86205685
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-hexylcyclobutene
SMILESCCCCCCC1=CCC1
InChIInChI=1S/C10H18/c1-2-3-4-5-7-10-8-6-9-10/h8H,2-7,9H2,1H3
InChIKeyBBTZUCHGNFZHRP-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.68
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

Terpinolene
CID 11463
Undecene
CID 5364452
Decene
CID 5364559
Tridecene
CID 5364435
Germacrene B
CID 5281519
3-Undecene, (3E)-
CID 5362751
gamma-Bisabolene
CID 62346
Geraniolene
CID 81203
gamma-BISABOLENE, (E)-
CID 5352437
trans-2-Decene
CID 32899
1-Ethylcyclohexene
CID 73937
4-Propyl-3-heptene
CID 138270

Frequently Asked Questions

What is the IUPAC name of 1-hexylcyclobutene?
The IUPAC name of 1-hexylcyclobutene (CID 86205685) is 1-hexylcyclobutene.
What is the SMILES notation for 1-hexylcyclobutene?
The canonical SMILES for 1-hexylcyclobutene is CCCCCCC1=CCC1.
What is the InChIKey of 1-hexylcyclobutene?
The InChIKey is BBTZUCHGNFZHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-2-3-4-5-7-10-8-6-9-10/h8H,2-7,9H2,1H3.
What are the key properties of 1-hexylcyclobutene?
1-hexylcyclobutene has a molecular weight of 138.25 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylcyclobutene is sourced from PubChem (CID 86205685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).