2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene

C14H20 — CID 143629884

IUPAC2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene
SMILESC=CC(=C)CCC1=C(C)C=CCC1C
InChIInChI=1S/C14H20/c1-5-11(2)9-10-14-12(3)7-6-8-13(14)4/h5-7,13H,1-2,8-10H2,3-4H3
InChIKeyXIEITMKZBBVHKD-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.42
Rot. Bonds4

About 2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene

2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene (PubChem CID 143629884) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene
PubChem CID143629884
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene
SMILESC=CC(=C)CCC1=C(C)C=CCC1C
InChIInChI=1S/C14H20/c1-5-11(2)9-10-14-12(3)7-6-8-13(14)4/h5-7,13H,1-2,8-10H2,3-4H3
InChIKeyXIEITMKZBBVHKD-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene?
The IUPAC name of 2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene (CID 143629884) is 2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene?
The canonical SMILES for 2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene is C=CC(=C)CCC1=C(C)C=CCC1C.
What is the InChIKey of 2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene?
The InChIKey is XIEITMKZBBVHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-5-11(2)9-10-14-12(3)7-6-8-13(14)4/h5-7,13H,1-2,8-10H2,3-4H3.
What are the key properties of 2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene?
2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene has a molecular weight of 188.31 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene is sourced from PubChem (CID 143629884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).