2,4-dimethyl-3-propan-2-ylhexa-1,3-diene

C11H20 — CID 123298352

IUPAC2,4-dimethyl-3-propan-2-ylhexa-1,3-diene
SMILESC=C(C)C(=C(C)CC)C(C)C
InChIInChI=1S/C11H20/c1-7-10(6)11(8(2)3)9(4)5/h9H,2,7H2,1,3-6H3
InChIKeyJTEWPFDUFVSTBL-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.94
Rot. Bonds3

About 2,4-dimethyl-3-propan-2-ylhexa-1,3-diene

2,4-dimethyl-3-propan-2-ylhexa-1,3-diene (PubChem CID 123298352) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2,4-dimethyl-3-propan-2-ylhexa-1,3-diene.

Molecular Properties

Compound Name2,4-dimethyl-3-propan-2-ylhexa-1,3-diene
PubChem CID123298352
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2,4-dimethyl-3-propan-2-ylhexa-1,3-diene
SMILESC=C(C)C(=C(C)CC)C(C)C
InChIInChI=1S/C11H20/c1-7-10(6)11(8(2)3)9(4)5/h9H,2,7H2,1,3-6H3
InChIKeyJTEWPFDUFVSTBL-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.94
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 2,4-dimethyl-3-propan-2-ylhexa-1,3-diene?
The IUPAC name of 2,4-dimethyl-3-propan-2-ylhexa-1,3-diene (CID 123298352) is 2,4-dimethyl-3-propan-2-ylhexa-1,3-diene.
What is the SMILES notation for 2,4-dimethyl-3-propan-2-ylhexa-1,3-diene?
The canonical SMILES for 2,4-dimethyl-3-propan-2-ylhexa-1,3-diene is C=C(C)C(=C(C)CC)C(C)C.
What is the InChIKey of 2,4-dimethyl-3-propan-2-ylhexa-1,3-diene?
The InChIKey is JTEWPFDUFVSTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-7-10(6)11(8(2)3)9(4)5/h9H,2,7H2,1,3-6H3.
What are the key properties of 2,4-dimethyl-3-propan-2-ylhexa-1,3-diene?
2,4-dimethyl-3-propan-2-ylhexa-1,3-diene has a molecular weight of 152.28 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-propan-2-ylhexa-1,3-diene is sourced from PubChem (CID 123298352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).