butane;ethane;ethene;prop-1-ene

C27H74 — CID 144524801

IUPACbutane;ethane;ethene;prop-1-ene
SMILESC=C.C=CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCCC
InChIInChI=1S/C4H10.C3H6.9C2H6.C2H4/c1-3-4-2;1-3-2;10*1-2/h3-4H2,1-2H3;3H,1H2,2H3;9*1-2H3;1-2H2
InChIKeyANAOJBKAJNIKAM-UHFFFAOYSA-N
MW398.89 g/mol
LogP13.04
Rot. Bonds1

About butane;ethane;ethene;prop-1-ene

butane;ethane;ethene;prop-1-ene (PubChem CID 144524801) has the molecular formula C27H74 and a molecular weight of 398.89 g/mol. Its IUPAC name is butane;ethane;ethene;prop-1-ene.

Molecular Properties

Compound Namebutane;ethane;ethene;prop-1-ene
PubChem CID144524801
Molecular FormulaC27H74
Molecular Weight398.89 g/mol
Exact Mass398.58
IUPAC Namebutane;ethane;ethene;prop-1-ene
SMILESC=C.C=CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCCC
InChIInChI=1S/C4H10.C3H6.9C2H6.C2H4/c1-3-4-2;1-3-2;10*1-2/h3-4H2,1-2H3;3H,1H2,2H3;9*1-2H3;1-2H2
InChIKeyANAOJBKAJNIKAM-UHFFFAOYSA-N
XLogP13.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.89
LogP ≤ 513.04
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 butane;ethane;ethene;prop-1-ene?
The IUPAC name of butane;ethane;ethene;prop-1-ene (CID 144524801) is butane;ethane;ethene;prop-1-ene.
What is the SMILES notation for butane;ethane;ethene;prop-1-ene?
The canonical SMILES for butane;ethane;ethene;prop-1-ene is C=C.C=CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCCC.
What is the InChIKey of butane;ethane;ethene;prop-1-ene?
The InChIKey is ANAOJBKAJNIKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H6.9C2H6.C2H4/c1-3-4-2;1-3-2;10*1-2/h3-4H2,1-2H3;3H,1H2,2H3;9*1-2H3;1-2H2.
What are the key properties of butane;ethane;ethene;prop-1-ene?
butane;ethane;ethene;prop-1-ene has a molecular weight of 398.89 g/mol, XLogP of 13.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;ethene;prop-1-ene is sourced from PubChem (CID 144524801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).