2,5,5-trimethyl-4-methylidene-3-propan-2-ylhex-2-ene

C13H24 — CID 15696340

IUPAC2,5,5-trimethyl-4-methylidene-3-propan-2-ylhex-2-ene
SMILESC=C(C(=C(C)C)C(C)C)C(C)(C)C
InChIInChI=1S/C13H24/c1-9(2)12(10(3)4)11(5)13(6,7)8/h9H,5H2,1-4,6-8H3
InChIKeyVDWFYLGXYYSIJD-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.58
Rot. Bonds2

About 2,5,5-trimethyl-4-methylidene-3-propan-2-ylhex-2-ene

2,5,5-trimethyl-4-methylidene-3-propan-2-ylhex-2-ene (PubChem CID 15696340) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2,5,5-trimethyl-4-methylidene-3-propan-2-ylhex-2-ene.

Molecular Properties

Compound Name2,5,5-trimethyl-4-methylidene-3-propan-2-ylhex-2-ene
PubChem CID15696340
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2,5,5-trimethyl-4-methylidene-3-propan-2-ylhex-2-ene
SMILESC=C(C(=C(C)C)C(C)C)C(C)(C)C
InChIInChI=1S/C13H24/c1-9(2)12(10(3)4)11(5)13(6,7)8/h9H,5H2,1-4,6-8H3
InChIKeyVDWFYLGXYYSIJD-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.58
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 2,5,5-trimethyl-4-methylidene-3-propan-2-ylhex-2-ene?
The IUPAC name of 2,5,5-trimethyl-4-methylidene-3-propan-2-ylhex-2-ene (CID 15696340) is 2,5,5-trimethyl-4-methylidene-3-propan-2-ylhex-2-ene.
What is the SMILES notation for 2,5,5-trimethyl-4-methylidene-3-propan-2-ylhex-2-ene?
The canonical SMILES for 2,5,5-trimethyl-4-methylidene-3-propan-2-ylhex-2-ene is C=C(C(=C(C)C)C(C)C)C(C)(C)C.
What is the InChIKey of 2,5,5-trimethyl-4-methylidene-3-propan-2-ylhex-2-ene?
The InChIKey is VDWFYLGXYYSIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-9(2)12(10(3)4)11(5)13(6,7)8/h9H,5H2,1-4,6-8H3.
What are the key properties of 2,5,5-trimethyl-4-methylidene-3-propan-2-ylhex-2-ene?
2,5,5-trimethyl-4-methylidene-3-propan-2-ylhex-2-ene has a molecular weight of 180.33 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-4-methylidene-3-propan-2-ylhex-2-ene is sourced from PubChem (CID 15696340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).