(2,3,4-trimethylcyclobutyl)methylbenzene

C14H20 — CID 90929124

IUPAC(2,3,4-trimethylcyclobutyl)methylbenzene
SMILESCC1C(C)C(Cc2ccccc2)C1C
InChIInChI=1S/C14H20/c1-10-11(2)14(12(10)3)9-13-7-5-4-6-8-13/h4-8,10-12,14H,9H2,1-3H3
InChIKeyNJQSQDIYCAUNTD-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.77
Rot. Bonds2

About (2,3,4-trimethylcyclobutyl)methylbenzene

(2,3,4-trimethylcyclobutyl)methylbenzene (PubChem CID 90929124) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (2,3,4-trimethylcyclobutyl)methylbenzene.

Molecular Properties

Compound Name(2,3,4-trimethylcyclobutyl)methylbenzene
PubChem CID90929124
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(2,3,4-trimethylcyclobutyl)methylbenzene
SMILESCC1C(C)C(Cc2ccccc2)C1C
InChIInChI=1S/C14H20/c1-10-11(2)14(12(10)3)9-13-7-5-4-6-8-13/h4-8,10-12,14H,9H2,1-3H3
InChIKeyNJQSQDIYCAUNTD-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 91113626
bis(1,2,3,4,5-pentamethylcyclopentane);phenylmethanol;samarium
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CID 15804274
(2R,3R)-2-benzyl-3-methylaziridine
CID 15621251
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
(3-bromo-2-methylcyclopentyl)methylbenzene
CID 64907307
cyclopropylmethylbenzene;ethane;methane
CID 142248267
2-benzyl-1,2-dihydroazete
CID 145299473
(4-benzylcyclobut-2-yn-1-yl)methylbenzene
CID 140793288
(1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine
CID 167446481
(2R)-2-benzyl-1-methylaziridine
CID 87174257
(2S)-2-benzyl-2H-azirine
CID 155642978

Frequently Asked Questions

What is the IUPAC name of (2,3,4-trimethylcyclobutyl)methylbenzene?
The IUPAC name of (2,3,4-trimethylcyclobutyl)methylbenzene (CID 90929124) is (2,3,4-trimethylcyclobutyl)methylbenzene.
What is the SMILES notation for (2,3,4-trimethylcyclobutyl)methylbenzene?
The canonical SMILES for (2,3,4-trimethylcyclobutyl)methylbenzene is CC1C(C)C(Cc2ccccc2)C1C.
What is the InChIKey of (2,3,4-trimethylcyclobutyl)methylbenzene?
The InChIKey is NJQSQDIYCAUNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-10-11(2)14(12(10)3)9-13-7-5-4-6-8-13/h4-8,10-12,14H,9H2,1-3H3.
What are the key properties of (2,3,4-trimethylcyclobutyl)methylbenzene?
(2,3,4-trimethylcyclobutyl)methylbenzene has a molecular weight of 188.31 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trimethylcyclobutyl)methylbenzene is sourced from PubChem (CID 90929124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).