(5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene

C16H20 — CID 159279644

IUPAC(5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene
SMILESCCCC1=C(C)C(Cc2ccccc2)=CC1
InChIInChI=1S/C16H20/c1-3-7-15-10-11-16(13(15)2)12-14-8-5-4-6-9-14/h4-6,8-9,11H,3,7,10,12H2,1-2H3
InChIKeyKYTDZEUKCJQOEO-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.68
Rot. Bonds4

About (5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene

(5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene (PubChem CID 159279644) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is (5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene.

Molecular Properties

Compound Name(5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene
PubChem CID159279644
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name(5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene
SMILESCCCC1=C(C)C(Cc2ccccc2)=CC1
InChIInChI=1S/C16H20/c1-3-7-15-10-11-16(13(15)2)12-14-8-5-4-6-9-14/h4-6,8-9,11H,3,7,10,12H2,1-2H3
InChIKeyKYTDZEUKCJQOEO-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane
CID 173383435
propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
benzene;propylbenzene;toluene
CID 142060228
potassium;hydride;propylbenzene
CID 174749122
benzylbenzene;propane;toluene
CID 90753545
1-benzyl-2,3-dipropylbenzene
CID 22920914
phenyl(113C)methylbenzene
CID 11194569
(2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene
CID 139667580
ethane;ethylbenzene;propylbenzene
CID 153343160
lithium;ethyne;propylbenzene
CID 174833014
butylbenzene;propylbenzene
CID 142022125

Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene?
The IUPAC name of (5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene (CID 159279644) is (5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene.
What is the SMILES notation for (5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene?
The canonical SMILES for (5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene is CCCC1=C(C)C(Cc2ccccc2)=CC1.
What is the InChIKey of (5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene?
The InChIKey is KYTDZEUKCJQOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-3-7-15-10-11-16(13(15)2)12-14-8-5-4-6-9-14/h4-6,8-9,11H,3,7,10,12H2,1-2H3.
What are the key properties of (5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene?
(5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene has a molecular weight of 212.34 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene is sourced from PubChem (CID 159279644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).