1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene

C37H50 — CID 173312876

IUPAC1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene
SMILESCC(C)C(c1cccc2ccccc12)(C(C)C)C(C)C.CC(C)C(c1cccc2ccccc12)C(C)C
InChIInChI=1S/C20H28.C17H22/c1-14(2)20(15(3)4,16(5)6)19-13-9-11-17-10-7-8-12-18(17)19;1-12(2)17(13(3)4)16-11-7-9-14-8-5-6-10-15(14)16/h7-16H,1-6H3;5-13,17H,1-4H3
InChIKeyZCYVGZJGAGIRBG-UHFFFAOYSA-N
MW494.81 g/mol
LogP11.28
Rot. Bonds7

About 1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene

1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene (PubChem CID 173312876) has the molecular formula C37H50 and a molecular weight of 494.81 g/mol. Its IUPAC name is 1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene.

Molecular Properties

Compound Name1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene
PubChem CID173312876
Molecular FormulaC37H50
Molecular Weight494.81 g/mol
Exact Mass494.39
IUPAC Name1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene
SMILESCC(C)C(c1cccc2ccccc12)(C(C)C)C(C)C.CC(C)C(c1cccc2ccccc12)C(C)C
InChIInChI=1S/C20H28.C17H22/c1-14(2)20(15(3)4,16(5)6)19-13-9-11-17-10-7-8-12-18(17)19;1-12(2)17(13(3)4)16-11-7-9-14-8-5-6-10-15(14)16/h7-16H,1-6H3;5-13,17H,1-4H3
InChIKeyZCYVGZJGAGIRBG-UHFFFAOYSA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.81
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
CID 174906138
CID 174906138
2-fluoro-1,1,2-trinaphthalen-1-ylethanol
CID 102110892
3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine
CID 22486889
potassium [(1S)-1-naphthalen-1-ylethyl]azanide
CID 100993742
1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345
butane;1-propan-2-ylnaphthalene
CID 157253186

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene?
The IUPAC name of 1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene (CID 173312876) is 1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene.
What is the SMILES notation for 1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene?
The canonical SMILES for 1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene is CC(C)C(c1cccc2ccccc12)(C(C)C)C(C)C.CC(C)C(c1cccc2ccccc12)C(C)C.
What is the InChIKey of 1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene?
The InChIKey is ZCYVGZJGAGIRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28.C17H22/c1-14(2)20(15(3)4,16(5)6)19-13-9-11-17-10-7-8-12-18(17)19;1-12(2)17(13(3)4)16-11-7-9-14-8-5-6-10-15(14)16/h7-16H,1-6H3;5-13,17H,1-4H3.
What are the key properties of 1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene?
1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene has a molecular weight of 494.81 g/mol, XLogP of 11.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene is sourced from PubChem (CID 173312876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).