1,3-diethyl-2-methyl-5-propan-2-ylbenzene

C14H22 — CID 153439448

IUPAC1,3-diethyl-2-methyl-5-propan-2-ylbenzene
SMILESCCc1cc(C(C)C)cc(CC)c1C
InChIInChI=1S/C14H22/c1-6-12-8-14(10(3)4)9-13(7-2)11(12)5/h8-10H,6-7H2,1-5H3
InChIKeyLNVMQQVLFRZBET-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.24
Rot. Bonds3

About 1,3-diethyl-2-methyl-5-propan-2-ylbenzene

1,3-diethyl-2-methyl-5-propan-2-ylbenzene (PubChem CID 153439448) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1,3-diethyl-2-methyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1,3-diethyl-2-methyl-5-propan-2-ylbenzene
PubChem CID153439448
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1,3-diethyl-2-methyl-5-propan-2-ylbenzene
SMILESCCc1cc(C(C)C)cc(CC)c1C
InChIInChI=1S/C14H22/c1-6-12-8-14(10(3)4)9-13(7-2)11(12)5/h8-10H,6-7H2,1-5H3
InChIKeyLNVMQQVLFRZBET-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755
2,6-diethyl-4-propan-2-ylbenzonitrile
CID 134444218
ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562754
1-(2,3-dimethyl-5-propan-2-ylphenyl)propan-2-one
CID 117292880
4-ethyl-2,3-dimethyl-6-propan-2-ylpyridine
CID 176979223
1-ethyl-3-propan-2-ylanthracene
CID 140601702
5-(difluoromethyl)-3-ethyl-2-methylaniline
CID 134183684
1-ethyl-6-fluoro-3-propan-2-ylnaphthalene
CID 155691740
3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid
CID 117314538
2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 156849362
CID 175757661
CID 175757661
magnesium;1,3,5-tri(propan-2-yl)benzene;dibromide
CID 175275405

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-methyl-5-propan-2-ylbenzene?
The IUPAC name of 1,3-diethyl-2-methyl-5-propan-2-ylbenzene (CID 153439448) is 1,3-diethyl-2-methyl-5-propan-2-ylbenzene.
What is the SMILES notation for 1,3-diethyl-2-methyl-5-propan-2-ylbenzene?
The canonical SMILES for 1,3-diethyl-2-methyl-5-propan-2-ylbenzene is CCc1cc(C(C)C)cc(CC)c1C.
What is the InChIKey of 1,3-diethyl-2-methyl-5-propan-2-ylbenzene?
The InChIKey is LNVMQQVLFRZBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-6-12-8-14(10(3)4)9-13(7-2)11(12)5/h8-10H,6-7H2,1-5H3.
What are the key properties of 1,3-diethyl-2-methyl-5-propan-2-ylbenzene?
1,3-diethyl-2-methyl-5-propan-2-ylbenzene has a molecular weight of 190.33 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-methyl-5-propan-2-ylbenzene is sourced from PubChem (CID 153439448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).