methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene

C26H38 — CID 157266491

IUPACmethane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene
SMILESC.C.Cc1ccc(C(C)C)c2ccccc12.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C14H16.C10H14.2CH4/c1-10(2)12-9-8-11(3)13-6-4-5-7-14(12)13;1-8(2)10-6-4-9(3)5-7-10;;/h4-10H,1-3H3;4-8H,1-3H3;2*1H4
InChIKeyAYBBHHJWHOMSMN-UHFFFAOYSA-N
MW350.59 g/mol
LogP8.66
Rot. Bonds2

About methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene

methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene (PubChem CID 157266491) has the molecular formula C26H38 and a molecular weight of 350.59 g/mol. Its IUPAC name is methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene.

Molecular Properties

Compound Namemethane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene
PubChem CID157266491
Molecular FormulaC26H38
Molecular Weight350.59 g/mol
Exact Mass350.30
IUPAC Namemethane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene
SMILESC.C.Cc1ccc(C(C)C)c2ccccc12.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C14H16.C10H14.2CH4/c1-10(2)12-9-8-11(3)13-6-4-5-7-14(12)13;1-8(2)10-6-4-9(3)5-7-10;;/h4-10H,1-3H3;4-8H,1-3H3;2*1H4
InChIKeyAYBBHHJWHOMSMN-UHFFFAOYSA-N
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene?
The IUPAC name of methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene (CID 157266491) is methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene.
What is the SMILES notation for methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene?
The canonical SMILES for methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene is C.C.Cc1ccc(C(C)C)c2ccccc12.Cc1ccc(C(C)C)cc1.
What is the InChIKey of methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene?
The InChIKey is AYBBHHJWHOMSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C10H14.2CH4/c1-10(2)12-9-8-11(3)13-6-4-5-7-14(12)13;1-8(2)10-6-4-9(3)5-7-10;;/h4-10H,1-3H3;4-8H,1-3H3;2*1H4.
What are the key properties of methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene?
methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene has a molecular weight of 350.59 g/mol, XLogP of 8.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene is sourced from PubChem (CID 157266491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).