(E)-3-methyl-4-methylideneoct-2-ene

C10H18 — CID 121232771

IUPAC(E)-3-methyl-4-methylideneoct-2-ene
SMILESC=C(CCCC)/C(C)=C/C
InChIInChI=1S/C10H18/c1-5-7-8-10(4)9(3)6-2/h6H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyZGCOOSLDKQZUBA-RMKNXTFCSA-N
MW138.25 g/mol
LogP3.70
Rot. Bonds4

About (E)-3-methyl-4-methylideneoct-2-ene

(E)-3-methyl-4-methylideneoct-2-ene (PubChem CID 121232771) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (E)-3-methyl-4-methylideneoct-2-ene.

Molecular Properties

Compound Name(E)-3-methyl-4-methylideneoct-2-ene
PubChem CID121232771
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(E)-3-methyl-4-methylideneoct-2-ene
SMILESC=C(CCCC)/C(C)=C/C
InChIInChI=1S/C10H18/c1-5-7-8-10(4)9(3)6-2/h6H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyZGCOOSLDKQZUBA-RMKNXTFCSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.70
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 (E)-3-methyl-4-methylideneoct-2-ene?
The IUPAC name of (E)-3-methyl-4-methylideneoct-2-ene (CID 121232771) is (E)-3-methyl-4-methylideneoct-2-ene.
What is the SMILES notation for (E)-3-methyl-4-methylideneoct-2-ene?
The canonical SMILES for (E)-3-methyl-4-methylideneoct-2-ene is C=C(CCCC)/C(C)=C/C.
What is the InChIKey of (E)-3-methyl-4-methylideneoct-2-ene?
The InChIKey is ZGCOOSLDKQZUBA-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H18/c1-5-7-8-10(4)9(3)6-2/h6H,4-5,7-8H2,1-3H3/b9-6+.
What are the key properties of (E)-3-methyl-4-methylideneoct-2-ene?
(E)-3-methyl-4-methylideneoct-2-ene has a molecular weight of 138.25 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-methylideneoct-2-ene is sourced from PubChem (CID 121232771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).