cyclohexane;3,3-dimethylpentane;ethane

C17H40 — CID 91200875

IUPACcyclohexane;3,3-dimethylpentane;ethane
SMILESC1CCCCC1.CC.CC.CCC(C)(C)CC
InChIInChI=1S/C7H16.C6H12.2C2H6/c1-5-7(3,4)6-2;1-2-4-6-5-3-1;2*1-2/h5-6H2,1-4H3;1-6H2;2*1-2H3
InChIKeyBYAKRYCGBLBQTL-UHFFFAOYSA-N
MW244.51 g/mol
LogP7.23
Rot. Bonds2

About cyclohexane;3,3-dimethylpentane;ethane

cyclohexane;3,3-dimethylpentane;ethane (PubChem CID 91200875) has the molecular formula C17H40 and a molecular weight of 244.51 g/mol. Its IUPAC name is cyclohexane;3,3-dimethylpentane;ethane.

Molecular Properties

Compound Namecyclohexane;3,3-dimethylpentane;ethane
PubChem CID91200875
Molecular FormulaC17H40
Molecular Weight244.51 g/mol
Exact Mass244.31
IUPAC Namecyclohexane;3,3-dimethylpentane;ethane
SMILESC1CCCCC1.CC.CC.CCC(C)(C)CC
InChIInChI=1S/C7H16.C6H12.2C2H6/c1-5-7(3,4)6-2;1-2-4-6-5-3-1;2*1-2/h5-6H2,1-4H3;1-6H2;2*1-2H3
InChIKeyBYAKRYCGBLBQTL-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.51
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;3,3-dimethylpentane;ethane?
The IUPAC name of cyclohexane;3,3-dimethylpentane;ethane (CID 91200875) is cyclohexane;3,3-dimethylpentane;ethane.
What is the SMILES notation for cyclohexane;3,3-dimethylpentane;ethane?
The canonical SMILES for cyclohexane;3,3-dimethylpentane;ethane is C1CCCCC1.CC.CC.CCC(C)(C)CC.
What is the InChIKey of cyclohexane;3,3-dimethylpentane;ethane?
The InChIKey is BYAKRYCGBLBQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C6H12.2C2H6/c1-5-7(3,4)6-2;1-2-4-6-5-3-1;2*1-2/h5-6H2,1-4H3;1-6H2;2*1-2H3.
What are the key properties of cyclohexane;3,3-dimethylpentane;ethane?
cyclohexane;3,3-dimethylpentane;ethane has a molecular weight of 244.51 g/mol, XLogP of 7.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;3,3-dimethylpentane;ethane is sourced from PubChem (CID 91200875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).