1,3-dimethyl-5-propylnaphthalene

C15H18 — CID 57064883

IUPAC1,3-dimethyl-5-propylnaphthalene
SMILESCCCc1cccc2c(C)cc(C)cc12
InChIInChI=1S/C15H18/c1-4-6-13-7-5-8-14-12(3)9-11(2)10-15(13)14/h5,7-10H,4,6H2,1-3H3
InChIKeyBDPHTRCHOXHLAM-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.41
Rot. Bonds2

About 1,3-dimethyl-5-propylnaphthalene

1,3-dimethyl-5-propylnaphthalene (PubChem CID 57064883) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,3-dimethyl-5-propylnaphthalene.

Molecular Properties

Compound Name1,3-dimethyl-5-propylnaphthalene
PubChem CID57064883
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1,3-dimethyl-5-propylnaphthalene
SMILESCCCc1cccc2c(C)cc(C)cc12
InChIInChI=1S/C15H18/c1-4-6-13-7-5-8-14-12(3)9-11(2)10-15(13)14/h5,7-10H,4,6H2,1-3H3
InChIKeyBDPHTRCHOXHLAM-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethenyl-5,7-dimethyl-2-propylnaphthalene
CID 143776422
5,7-dimethylnaphthalen-1-ol
CID 599056
methanamine;1-propylnaphthalene
CID 174438724
1-fluoro-5-propylnaphthalene
CID 143275008
2-ethoxy-1,3-dipropylbenzene
CID 14665558
2-fluoro-1-methyl-3-propylbenzene
CID 54557935
2,4-dimethyl-1-(2-propylphenyl)benzene
CID 123254969
2-methyl-4-propyl-1H-inden-1-ide;zirconium
CID 174349249
2-(2,6-diethylphenyl)-1,3,5-trimethylbenzene
CID 91665787
potassium 4,8-dipropylnaphthalene-2-sulfonate
CID 101323881
azane;1-hexyl-7-methylnaphthalene
CID 174691158
1-methyl-5-[(4-methylphenyl)methyl]naphthalene
CID 18684384

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propylnaphthalene?
The IUPAC name of 1,3-dimethyl-5-propylnaphthalene (CID 57064883) is 1,3-dimethyl-5-propylnaphthalene.
What is the SMILES notation for 1,3-dimethyl-5-propylnaphthalene?
The canonical SMILES for 1,3-dimethyl-5-propylnaphthalene is CCCc1cccc2c(C)cc(C)cc12.
What is the InChIKey of 1,3-dimethyl-5-propylnaphthalene?
The InChIKey is BDPHTRCHOXHLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-4-6-13-7-5-8-14-12(3)9-11(2)10-15(13)14/h5,7-10H,4,6H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-propylnaphthalene?
1,3-dimethyl-5-propylnaphthalene has a molecular weight of 198.31 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propylnaphthalene is sourced from PubChem (CID 57064883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).