ethane;2-methylpentane;prop-1-ene

C11H26 — CID 142082558

IUPACethane;2-methylpentane;prop-1-ene
SMILESC=CC.CC.CCCC(C)C
InChIInChI=1S/C6H14.C3H6.C2H6/c1-4-5-6(2)3;1-3-2;1-2/h6H,4-5H2,1-3H3;3H,1H2,2H3;1-2H3
InChIKeyRUSOYXIROCCMRY-UHFFFAOYSA-N
MW158.33 g/mol
LogP4.66
Rot. Bonds2

About ethane;2-methylpentane;prop-1-ene

ethane;2-methylpentane;prop-1-ene (PubChem CID 142082558) has the molecular formula C11H26 and a molecular weight of 158.33 g/mol. Its IUPAC name is ethane;2-methylpentane;prop-1-ene.

Molecular Properties

Compound Nameethane;2-methylpentane;prop-1-ene
PubChem CID142082558
Molecular FormulaC11H26
Molecular Weight158.33 g/mol
Exact Mass158.20
IUPAC Nameethane;2-methylpentane;prop-1-ene
SMILESC=CC.CC.CCCC(C)C
InChIInChI=1S/C6H14.C3H6.C2H6/c1-4-5-6(2)3;1-3-2;1-2/h6H,4-5H2,1-3H3;3H,1H2,2H3;1-2H3
InChIKeyRUSOYXIROCCMRY-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.33
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpentane;prop-1-ene?
The IUPAC name of ethane;2-methylpentane;prop-1-ene (CID 142082558) is ethane;2-methylpentane;prop-1-ene.
What is the SMILES notation for ethane;2-methylpentane;prop-1-ene?
The canonical SMILES for ethane;2-methylpentane;prop-1-ene is C=CC.CC.CCCC(C)C.
What is the InChIKey of ethane;2-methylpentane;prop-1-ene?
The InChIKey is RUSOYXIROCCMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C3H6.C2H6/c1-4-5-6(2)3;1-3-2;1-2/h6H,4-5H2,1-3H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;2-methylpentane;prop-1-ene?
ethane;2-methylpentane;prop-1-ene has a molecular weight of 158.33 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpentane;prop-1-ene is sourced from PubChem (CID 142082558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).