ethane;ethene;2-methylidene-4-propan-2-ylbicyclo[3.2.0]heptane;propane

C18H36 — CID 143370026

IUPACethane;ethene;2-methylidene-4-propan-2-ylbicyclo[3.2.0]heptane;propane
SMILESC=C.C=C1CC(C(C)C)C2CCC12.CC.CCC
InChIInChI=1S/C11H18.C3H8.C2H6.C2H4/c1-7(2)11-6-8(3)9-4-5-10(9)11;1-3-2;2*1-2/h7,9-11H,3-6H2,1-2H3;3H2,1-2H3;1-2H3;1-2H2
InChIKeyIKZIEHMRFUTLDQ-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.49
Rot. Bonds1

About ethane;ethene;2-methylidene-4-propan-2-ylbicyclo[3.2.0]heptane;propane

ethane;ethene;2-methylidene-4-propan-2-ylbicyclo[3.2.0]heptane;propane (PubChem CID 143370026) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is ethane;ethene;2-methylidene-4-propan-2-ylbicyclo[3.2.0]heptane;propane.

Molecular Properties

Compound Nameethane;ethene;2-methylidene-4-propan-2-ylbicyclo[3.2.0]heptane;propane
PubChem CID143370026
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Nameethane;ethene;2-methylidene-4-propan-2-ylbicyclo[3.2.0]heptane;propane
SMILESC=C.C=C1CC(C(C)C)C2CCC12.CC.CCC
InChIInChI=1S/C11H18.C3H8.C2H6.C2H4/c1-7(2)11-6-8(3)9-4-5-10(9)11;1-3-2;2*1-2/h7,9-11H,3-6H2,1-2H3;3H2,1-2H3;1-2H3;1-2H2
InChIKeyIKZIEHMRFUTLDQ-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.49
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;ethene;2-methylidene-4-propan-2-ylbicyclo[3.2.0]heptane;propane?
The IUPAC name of ethane;ethene;2-methylidene-4-propan-2-ylbicyclo[3.2.0]heptane;propane (CID 143370026) is ethane;ethene;2-methylidene-4-propan-2-ylbicyclo[3.2.0]heptane;propane.
What is the SMILES notation for ethane;ethene;2-methylidene-4-propan-2-ylbicyclo[3.2.0]heptane;propane?
The canonical SMILES for ethane;ethene;2-methylidene-4-propan-2-ylbicyclo[3.2.0]heptane;propane is C=C.C=C1CC(C(C)C)C2CCC12.CC.CCC.
What is the InChIKey of ethane;ethene;2-methylidene-4-propan-2-ylbicyclo[3.2.0]heptane;propane?
The InChIKey is IKZIEHMRFUTLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18.C3H8.C2H6.C2H4/c1-7(2)11-6-8(3)9-4-5-10(9)11;1-3-2;2*1-2/h7,9-11H,3-6H2,1-2H3;3H2,1-2H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;2-methylidene-4-propan-2-ylbicyclo[3.2.0]heptane;propane?
ethane;ethene;2-methylidene-4-propan-2-ylbicyclo[3.2.0]heptane;propane has a molecular weight of 252.49 g/mol, XLogP of 6.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;2-methylidene-4-propan-2-ylbicyclo[3.2.0]heptane;propane is sourced from PubChem (CID 143370026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).