1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene

C14H22 — CID 13359400

IUPAC1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene
SMILESCc1c(C)c(C)c(C(C)C)c(C)c1C
InChIInChI=1S/C14H22/c1-8(2)14-12(6)10(4)9(3)11(5)13(14)7/h8H,1-7H3
InChIKeyCCDDNWQIDHQEDN-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.35
Rot. Bonds1

About 1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene

1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene (PubChem CID 13359400) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene
PubChem CID13359400
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene
SMILESCc1c(C)c(C)c(C(C)C)c(C)c1C
InChIInChI=1S/C14H22/c1-8(2)14-12(6)10(4)9(3)11(5)13(14)7/h8H,1-7H3
InChIKeyCCDDNWQIDHQEDN-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene (CID 13359400) is 1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene is Cc1c(C)c(C)c(C(C)C)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene?
The InChIKey is CCDDNWQIDHQEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-8(2)14-12(6)10(4)9(3)11(5)13(14)7/h8H,1-7H3.
What are the key properties of 1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene?
1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene has a molecular weight of 190.33 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene is sourced from PubChem (CID 13359400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).