butane;cyclopentylmethylbenzene

C16H26 — CID 143522605

IUPACbutane;cyclopentylmethylbenzene
SMILESCCCC.c1ccc(CC2CCCC2)cc1
InChIInChI=1S/C12H16.C4H10/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;1-3-4-2/h1-3,6-7,12H,4-5,8-10H2;3-4H2,1-2H3
InChIKeyTVZDQGNCLLIKRP-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.23
Rot. Bonds3

About butane;cyclopentylmethylbenzene

butane;cyclopentylmethylbenzene (PubChem CID 143522605) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is butane;cyclopentylmethylbenzene.

Molecular Properties

Compound Namebutane;cyclopentylmethylbenzene
PubChem CID143522605
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Namebutane;cyclopentylmethylbenzene
SMILESCCCC.c1ccc(CC2CCCC2)cc1
InChIInChI=1S/C12H16.C4H10/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;1-3-4-2/h1-3,6-7,12H,4-5,8-10H2;3-4H2,1-2H3
InChIKeyTVZDQGNCLLIKRP-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene
CID 91363627
cyclopentylmethylbenzene;formamide
CID 174870384
1,3-dibenzylcyclooctane
CID 3045388
cyclopropylmethylbenzene;ethane;methane
CID 142248267
6-benzylcyclodecan-1-one
CID 22319830
4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine
CID 142080658
4-benzyl-1-methylazepane
CID 123177845
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
4-benzylcycloheptan-1-one
CID 57223081
4-benzylphosphinane
CID 130251660
5-benzyldiazepane
CID 154443129
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690

Frequently Asked Questions

What is the IUPAC name of butane;cyclopentylmethylbenzene?
The IUPAC name of butane;cyclopentylmethylbenzene (CID 143522605) is butane;cyclopentylmethylbenzene.
What is the SMILES notation for butane;cyclopentylmethylbenzene?
The canonical SMILES for butane;cyclopentylmethylbenzene is CCCC.c1ccc(CC2CCCC2)cc1.
What is the InChIKey of butane;cyclopentylmethylbenzene?
The InChIKey is TVZDQGNCLLIKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C4H10/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;1-3-4-2/h1-3,6-7,12H,4-5,8-10H2;3-4H2,1-2H3.
What are the key properties of butane;cyclopentylmethylbenzene?
butane;cyclopentylmethylbenzene has a molecular weight of 218.38 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;cyclopentylmethylbenzene is sourced from PubChem (CID 143522605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).