(3E)-3-(but-1-en-2-yloxymethylidene)-2,6-dimethylhept-1-ene

C14H24O — CID 130239337

IUPAC(3E)-3-(but-1-en-2-yloxymethylidene)-2,6-dimethylhept-1-ene
SMILESC=C(CC)O/C=C(\CCC(C)C)C(=C)C
InChIInChI=1S/C14H24O/c1-7-13(6)15-10-14(12(4)5)9-8-11(2)3/h10-11H,4,6-9H2,1-3,5H3/b14-10+
InChIKeyAKXBBKOZAOAVRC-GXDHUFHOSA-N
MW208.34 g/mol
LogP4.82
Rot. Bonds7

About (3E)-3-(but-1-en-2-yloxymethylidene)-2,6-dimethylhept-1-ene

(3E)-3-(but-1-en-2-yloxymethylidene)-2,6-dimethylhept-1-ene (PubChem CID 130239337) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (3E)-3-(but-1-en-2-yloxymethylidene)-2,6-dimethylhept-1-ene.

Molecular Properties

Compound Name(3E)-3-(but-1-en-2-yloxymethylidene)-2,6-dimethylhept-1-ene
PubChem CID130239337
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(3E)-3-(but-1-en-2-yloxymethylidene)-2,6-dimethylhept-1-ene
SMILESC=C(CC)O/C=C(\CCC(C)C)C(=C)C
InChIInChI=1S/C14H24O/c1-7-13(6)15-10-14(12(4)5)9-8-11(2)3/h10-11H,4,6-9H2,1-3,5H3/b14-10+
InChIKeyAKXBBKOZAOAVRC-GXDHUFHOSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(but-1-en-2-yloxymethylidene)-2,6-dimethylhept-1-ene?
The IUPAC name of (3E)-3-(but-1-en-2-yloxymethylidene)-2,6-dimethylhept-1-ene (CID 130239337) is (3E)-3-(but-1-en-2-yloxymethylidene)-2,6-dimethylhept-1-ene.
What is the SMILES notation for (3E)-3-(but-1-en-2-yloxymethylidene)-2,6-dimethylhept-1-ene?
The canonical SMILES for (3E)-3-(but-1-en-2-yloxymethylidene)-2,6-dimethylhept-1-ene is C=C(CC)O/C=C(\CCC(C)C)C(=C)C.
What is the InChIKey of (3E)-3-(but-1-en-2-yloxymethylidene)-2,6-dimethylhept-1-ene?
The InChIKey is AKXBBKOZAOAVRC-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H24O/c1-7-13(6)15-10-14(12(4)5)9-8-11(2)3/h10-11H,4,6-9H2,1-3,5H3/b14-10+.
What are the key properties of (3E)-3-(but-1-en-2-yloxymethylidene)-2,6-dimethylhept-1-ene?
(3E)-3-(but-1-en-2-yloxymethylidene)-2,6-dimethylhept-1-ene has a molecular weight of 208.34 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(but-1-en-2-yloxymethylidene)-2,6-dimethylhept-1-ene is sourced from PubChem (CID 130239337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).