2-butyloxolane;pentylcyclopentane

C18H36O — CID 143579314

IUPAC2-butyloxolane;pentylcyclopentane
SMILESCCCCC1CCCO1.CCCCCC1CCCC1
InChIInChI=1S/C10H20.C8H16O/c1-2-3-4-7-10-8-5-6-9-10;1-2-3-5-8-6-4-7-9-8/h10H,2-9H2,1H3;8H,2-7H2,1H3
InChIKeyUTKGKMVMPFEEJG-UHFFFAOYSA-N
MW268.48 g/mol
LogP6.11
Rot. Bonds7

About 2-butyloxolane;pentylcyclopentane

2-butyloxolane;pentylcyclopentane (PubChem CID 143579314) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 2-butyloxolane;pentylcyclopentane.

Molecular Properties

Compound Name2-butyloxolane;pentylcyclopentane
PubChem CID143579314
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name2-butyloxolane;pentylcyclopentane
SMILESCCCCC1CCCO1.CCCCCC1CCCC1
InChIInChI=1S/C10H20.C8H16O/c1-2-3-4-7-10-8-5-6-9-10;1-2-3-5-8-6-4-7-9-8/h10H,2-9H2,1H3;8H,2-7H2,1H3
InChIKeyUTKGKMVMPFEEJG-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-tetradecyloxolane
CID 10683364
2-hexyloxolane;oxolane
CID 173130151
2-(14-hexylsulfanyltetradecyl)oxane
CID 23326746
4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65170355
2-octadecyloxetane
CID 168986267
cyclopropylmethyl-heptyl-[6-(oxan-2-yl)hexyl]sulfanium
CID 88679064
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
ethene;pentylcyclopentane
CID 145442606
tetradecylcyclododecane
CID 169026037
[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol
CID 66026294

Frequently Asked Questions

What is the IUPAC name of 2-butyloxolane;pentylcyclopentane?
The IUPAC name of 2-butyloxolane;pentylcyclopentane (CID 143579314) is 2-butyloxolane;pentylcyclopentane.
What is the SMILES notation for 2-butyloxolane;pentylcyclopentane?
The canonical SMILES for 2-butyloxolane;pentylcyclopentane is CCCCC1CCCO1.CCCCCC1CCCC1.
What is the InChIKey of 2-butyloxolane;pentylcyclopentane?
The InChIKey is UTKGKMVMPFEEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C8H16O/c1-2-3-4-7-10-8-5-6-9-10;1-2-3-5-8-6-4-7-9-8/h10H,2-9H2,1H3;8H,2-7H2,1H3.
What are the key properties of 2-butyloxolane;pentylcyclopentane?
2-butyloxolane;pentylcyclopentane has a molecular weight of 268.48 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyloxolane;pentylcyclopentane is sourced from PubChem (CID 143579314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).