ethane;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene

C12H20 — CID 143831212

IUPACethane;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene
SMILESC/C=C\C1C=CC=CC1C.CC
InChIInChI=1S/C10H14.C2H6/c1-3-6-10-8-5-4-7-9(10)2;1-2/h3-10H,1-2H3;1-2H3/b6-3-;
InChIKeyONYLJXDLJIFUEC-AQPBACSKSA-N
MW164.29 g/mol
LogP3.97
Rot. Bonds1

About ethane;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene

ethane;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene (PubChem CID 143831212) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is ethane;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene
PubChem CID143831212
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Nameethane;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene
SMILESC/C=C\C1C=CC=CC1C.CC
InChIInChI=1S/C10H14.C2H6/c1-3-6-10-8-5-4-7-9(10)2;1-2/h3-10H,1-2H3;1-2H3/b6-3-;
InChIKeyONYLJXDLJIFUEC-AQPBACSKSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.97
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;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene?
The IUPAC name of ethane;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene (CID 143831212) is ethane;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene.
What is the SMILES notation for ethane;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene?
The canonical SMILES for ethane;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene is C/C=C\C1C=CC=CC1C.CC.
What is the InChIKey of ethane;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene?
The InChIKey is ONYLJXDLJIFUEC-AQPBACSKSA-N. The full InChI is InChI=1S/C10H14.C2H6/c1-3-6-10-8-5-4-7-9(10)2;1-2/h3-10H,1-2H3;1-2H3/b6-3-;.
What are the key properties of ethane;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene?
ethane;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene is sourced from PubChem (CID 143831212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).