but-2-ene;ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C20H34 — CID 91423588

IUPACbut-2-ene;ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESC1C2CC3C4CC5CC(C14)C(C2)C3C5.CC.CC=CC
InChIInChI=1S/C14H20.C4H8.C2H6/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8;1-3-4-2;1-2/h7-14H,1-6H2;3-4H,1-2H3;1-2H3
InChIKeyBIHLPOQYLKXYGV-UHFFFAOYSA-N
MW274.49 g/mol
LogP5.93
Rot. Bonds

About but-2-ene;ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

but-2-ene;ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 91423588) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is but-2-ene;ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Namebut-2-ene;ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID91423588
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Namebut-2-ene;ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESC1C2CC3C4CC5CC(C14)C(C2)C3C5.CC.CC=CC
InChIInChI=1S/C14H20.C4H8.C2H6/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8;1-3-4-2;1-2/h7-14H,1-6H2;3-4H,1-2H3;1-2H3
InChIKeyBIHLPOQYLKXYGV-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 55.93
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 but-2-ene;ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of but-2-ene;ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 91423588) is but-2-ene;ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for but-2-ene;ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for but-2-ene;ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is C1C2CC3C4CC5CC(C14)C(C2)C3C5.CC.CC=CC.
What is the InChIKey of but-2-ene;ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is BIHLPOQYLKXYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C4H8.C2H6/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8;1-3-4-2;1-2/h7-14H,1-6H2;3-4H,1-2H3;1-2H3.
What are the key properties of but-2-ene;ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
but-2-ene;ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane has a molecular weight of 274.49 g/mol, XLogP of 5.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 91423588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).