3,3-dimethylpentane;ethane;1,4-xylene

C17H32 — CID 142196202

IUPAC3,3-dimethylpentane;ethane;1,4-xylene
SMILESCC.CCC(C)(C)CC.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C7H16.C2H6/c1-7-3-5-8(2)6-4-7;1-5-7(3,4)6-2;1-2/h3-6H,1-2H3;5-6H2,1-4H3;1-2H3
InChIKeyLKRXMBRHJZSGJX-UHFFFAOYSA-N
MW236.44 g/mol
LogP6.16
Rot. Bonds2

About 3,3-dimethylpentane;ethane;1,4-xylene

3,3-dimethylpentane;ethane;1,4-xylene (PubChem CID 142196202) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 3,3-dimethylpentane;ethane;1,4-xylene.

Molecular Properties

Compound Name3,3-dimethylpentane;ethane;1,4-xylene
PubChem CID142196202
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name3,3-dimethylpentane;ethane;1,4-xylene
SMILESCC.CCC(C)(C)CC.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C7H16.C2H6/c1-7-3-5-8(2)6-4-7;1-5-7(3,4)6-2;1-2/h3-6H,1-2H3;5-6H2,1-4H3;1-2H3
InChIKeyLKRXMBRHJZSGJX-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentane;ethane;1,4-xylene?
The IUPAC name of 3,3-dimethylpentane;ethane;1,4-xylene (CID 142196202) is 3,3-dimethylpentane;ethane;1,4-xylene.
What is the SMILES notation for 3,3-dimethylpentane;ethane;1,4-xylene?
The canonical SMILES for 3,3-dimethylpentane;ethane;1,4-xylene is CC.CCC(C)(C)CC.Cc1ccc(C)cc1.
What is the InChIKey of 3,3-dimethylpentane;ethane;1,4-xylene?
The InChIKey is LKRXMBRHJZSGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H16.C2H6/c1-7-3-5-8(2)6-4-7;1-5-7(3,4)6-2;1-2/h3-6H,1-2H3;5-6H2,1-4H3;1-2H3.
What are the key properties of 3,3-dimethylpentane;ethane;1,4-xylene?
3,3-dimethylpentane;ethane;1,4-xylene has a molecular weight of 236.44 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentane;ethane;1,4-xylene is sourced from PubChem (CID 142196202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).