(Z)-but-2-ene;methane;2-methyladamantane

C20H46 — CID 159957845

IUPAC(Z)-but-2-ene;methane;2-methyladamantane
SMILESC.C.C.C.C.C/C=C\C.CC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H18.C4H8.5CH4/c1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-3-4-2;;;;;/h7-11H,2-6H2,1H3;3-4H,1-2H3;5*1H4/b;4-3-;;;;;
InChIKeyOCYFACBPYDFYJW-CIXOVYEPSA-N
MW286.59 g/mol
LogP7.84
Rot. Bonds

About (Z)-but-2-ene;methane;2-methyladamantane

(Z)-but-2-ene;methane;2-methyladamantane (PubChem CID 159957845) has the molecular formula C20H46 and a molecular weight of 286.59 g/mol. Its IUPAC name is (Z)-but-2-ene;methane;2-methyladamantane.

Molecular Properties

Compound Name(Z)-but-2-ene;methane;2-methyladamantane
PubChem CID159957845
Molecular FormulaC20H46
Molecular Weight286.59 g/mol
Exact Mass286.36
IUPAC Name(Z)-but-2-ene;methane;2-methyladamantane
SMILESC.C.C.C.C.C/C=C\C.CC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H18.C4H8.5CH4/c1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-3-4-2;;;;;/h7-11H,2-6H2,1H3;3-4H,1-2H3;5*1H4/b;4-3-;;;;;
InChIKeyOCYFACBPYDFYJW-CIXOVYEPSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.59
LogP ≤ 57.84
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 (Z)-but-2-ene;methane;2-methyladamantane?
The IUPAC name of (Z)-but-2-ene;methane;2-methyladamantane (CID 159957845) is (Z)-but-2-ene;methane;2-methyladamantane.
What is the SMILES notation for (Z)-but-2-ene;methane;2-methyladamantane?
The canonical SMILES for (Z)-but-2-ene;methane;2-methyladamantane is C.C.C.C.C.C/C=C\C.CC1C2CC3CC(C2)CC1C3.
What is the InChIKey of (Z)-but-2-ene;methane;2-methyladamantane?
The InChIKey is OCYFACBPYDFYJW-CIXOVYEPSA-N. The full InChI is InChI=1S/C11H18.C4H8.5CH4/c1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-3-4-2;;;;;/h7-11H,2-6H2,1H3;3-4H,1-2H3;5*1H4/b;4-3-;;;;;.
What are the key properties of (Z)-but-2-ene;methane;2-methyladamantane?
(Z)-but-2-ene;methane;2-methyladamantane has a molecular weight of 286.59 g/mol, XLogP of 7.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;methane;2-methyladamantane is sourced from PubChem (CID 159957845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).