butane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane

C26H62 — CID 142019945

IUPACbutane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane
SMILESCC.CC1CCC1C.CCC.CCC.CCCC.CCCCC(C)CC
InChIInChI=1S/C8H18.C6H12.C4H10.2C3H8.C2H6/c1-4-6-7-8(3)5-2;1-5-3-4-6(5)2;1-3-4-2;2*1-3-2;1-2/h8H,4-7H2,1-3H3;5-6H,3-4H2,1-2H3;3-4H2,1-2H3;2*3H2,1-2H3;1-2H3
InChIKeyQZNDKLRDKSGGBU-UHFFFAOYSA-N
MW374.78 g/mol
LogP10.94
Rot. Bonds5

About butane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane

butane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane (PubChem CID 142019945) has the molecular formula C26H62 and a molecular weight of 374.78 g/mol. Its IUPAC name is butane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane.

Molecular Properties

Compound Namebutane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane
PubChem CID142019945
Molecular FormulaC26H62
Molecular Weight374.78 g/mol
Exact Mass374.49
IUPAC Namebutane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane
SMILESCC.CC1CCC1C.CCC.CCC.CCCC.CCCCC(C)CC
InChIInChI=1S/C8H18.C6H12.C4H10.2C3H8.C2H6/c1-4-6-7-8(3)5-2;1-5-3-4-6(5)2;1-3-4-2;2*1-3-2;1-2/h8H,4-7H2,1-3H3;5-6H,3-4H2,1-2H3;3-4H2,1-2H3;2*3H2,1-2H3;1-2H3
InChIKeyQZNDKLRDKSGGBU-UHFFFAOYSA-N
XLogP10.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.78
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane?
The IUPAC name of butane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane (CID 142019945) is butane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane.
What is the SMILES notation for butane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane?
The canonical SMILES for butane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane is CC.CC1CCC1C.CCC.CCC.CCCC.CCCCC(C)CC.
What is the InChIKey of butane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane?
The InChIKey is QZNDKLRDKSGGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C6H12.C4H10.2C3H8.C2H6/c1-4-6-7-8(3)5-2;1-5-3-4-6(5)2;1-3-4-2;2*1-3-2;1-2/h8H,4-7H2,1-3H3;5-6H,3-4H2,1-2H3;3-4H2,1-2H3;2*3H2,1-2H3;1-2H3.
What are the key properties of butane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane?
butane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane has a molecular weight of 374.78 g/mol, XLogP of 10.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane is sourced from PubChem (CID 142019945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).