1-cyclobutylnonan-5-ylcyclobutane

C17H32 — CID 173183497

IUPAC1-cyclobutylnonan-5-ylcyclobutane
SMILESCCCCC(CCCCC1CCC1)C1CCC1
InChIInChI=1S/C17H32/c1-2-3-11-16(17-13-7-14-17)12-5-4-8-15-9-6-10-15/h15-17H,2-14H2,1H3
InChIKeyLJMWPNHZLYKRPM-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.95
Rot. Bonds9

About 1-cyclobutylnonan-5-ylcyclobutane

1-cyclobutylnonan-5-ylcyclobutane (PubChem CID 173183497) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1-cyclobutylnonan-5-ylcyclobutane.

Molecular Properties

Compound Name1-cyclobutylnonan-5-ylcyclobutane
PubChem CID173183497
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1-cyclobutylnonan-5-ylcyclobutane
SMILESCCCCC(CCCCC1CCC1)C1CCC1
InChIInChI=1S/C17H32/c1-2-3-11-16(17-13-7-14-17)12-5-4-8-15-9-6-10-15/h15-17H,2-14H2,1H3
InChIKeyLJMWPNHZLYKRPM-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-cyclohexylheptan-3-ylcyclohexane
CID 90866446
undecan-5-ylcyclohexane
CID 524419
hexadecan-8-ylcyclohexane
CID 91510029
6,12-dimethylhexadecylcyclopentane;ethane;methane
CID 145468436
2-cyclopropylheptylcyclohexane
CID 57268487
1-chlorohexan-2-ylcyclopentane
CID 112570473
nonan-3-ylcyclopentane
CID 19893531
octylcyclotetradecane
CID 175261841
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
1,3-dipentylcyclohexane
CID 54105663
ethene;pentylcyclopentane
CID 145442606

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylnonan-5-ylcyclobutane?
The IUPAC name of 1-cyclobutylnonan-5-ylcyclobutane (CID 173183497) is 1-cyclobutylnonan-5-ylcyclobutane.
What is the SMILES notation for 1-cyclobutylnonan-5-ylcyclobutane?
The canonical SMILES for 1-cyclobutylnonan-5-ylcyclobutane is CCCCC(CCCCC1CCC1)C1CCC1.
What is the InChIKey of 1-cyclobutylnonan-5-ylcyclobutane?
The InChIKey is LJMWPNHZLYKRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-2-3-11-16(17-13-7-14-17)12-5-4-8-15-9-6-10-15/h15-17H,2-14H2,1H3.
What are the key properties of 1-cyclobutylnonan-5-ylcyclobutane?
1-cyclobutylnonan-5-ylcyclobutane has a molecular weight of 236.44 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylnonan-5-ylcyclobutane is sourced from PubChem (CID 173183497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).