(E)-1,1-dimethoxy-4-methylhex-3-ene

C9H18O2 — CID 13480984

IUPAC(E)-1,1-dimethoxy-4-methylhex-3-ene
SMILESCC/C(C)=C/CC(OC)OC
InChIInChI=1S/C9H18O2/c1-5-8(2)6-7-9(10-3)11-4/h6,9H,5,7H2,1-4H3/b8-6+
InChIKeyYIOVSBUIQQSTHI-SOFGYWHQSA-N
MW158.24 g/mol
LogP2.35
Rot. Bonds5

About (E)-1,1-dimethoxy-4-methylhex-3-ene

(E)-1,1-dimethoxy-4-methylhex-3-ene (PubChem CID 13480984) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (E)-1,1-dimethoxy-4-methylhex-3-ene.

Molecular Properties

Compound Name(E)-1,1-dimethoxy-4-methylhex-3-ene
PubChem CID13480984
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(E)-1,1-dimethoxy-4-methylhex-3-ene
SMILESCC/C(C)=C/CC(OC)OC
InChIInChI=1S/C9H18O2/c1-5-8(2)6-7-9(10-3)11-4/h6,9H,5,7H2,1-4H3/b8-6+
InChIKeyYIOVSBUIQQSTHI-SOFGYWHQSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1-dimethoxy-4-methylhex-3-ene?
The IUPAC name of (E)-1,1-dimethoxy-4-methylhex-3-ene (CID 13480984) is (E)-1,1-dimethoxy-4-methylhex-3-ene.
What is the SMILES notation for (E)-1,1-dimethoxy-4-methylhex-3-ene?
The canonical SMILES for (E)-1,1-dimethoxy-4-methylhex-3-ene is CC/C(C)=C/CC(OC)OC.
What is the InChIKey of (E)-1,1-dimethoxy-4-methylhex-3-ene?
The InChIKey is YIOVSBUIQQSTHI-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-8(2)6-7-9(10-3)11-4/h6,9H,5,7H2,1-4H3/b8-6+.
What are the key properties of (E)-1,1-dimethoxy-4-methylhex-3-ene?
(E)-1,1-dimethoxy-4-methylhex-3-ene has a molecular weight of 158.24 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-dimethoxy-4-methylhex-3-ene is sourced from PubChem (CID 13480984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).