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

C10H20O2 — CID 10583333

IUPAC(E)-1,1-dimethoxy-3,4-dimethylhex-3-ene
SMILESCC/C(C)=C(\C)CC(OC)OC
InChIInChI=1S/C10H20O2/c1-6-8(2)9(3)7-10(11-4)12-5/h10H,6-7H2,1-5H3/b9-8+
InChIKeyCSFULHJVOSLZPG-CMDGGOBGSA-N
MW172.27 g/mol
LogP2.74
Rot. Bonds5

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

(E)-1,1-dimethoxy-3,4-dimethylhex-3-ene (PubChem CID 10583333) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (E)-1,1-dimethoxy-3,4-dimethylhex-3-ene.

Molecular Properties

Compound Name(E)-1,1-dimethoxy-3,4-dimethylhex-3-ene
PubChem CID10583333
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(E)-1,1-dimethoxy-3,4-dimethylhex-3-ene
SMILESCC/C(C)=C(\C)CC(OC)OC
InChIInChI=1S/C10H20O2/c1-6-8(2)9(3)7-10(11-4)12-5/h10H,6-7H2,1-5H3/b9-8+
InChIKeyCSFULHJVOSLZPG-CMDGGOBGSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.74
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-3,4-dimethylhex-3-ene?
The IUPAC name of (E)-1,1-dimethoxy-3,4-dimethylhex-3-ene (CID 10583333) is (E)-1,1-dimethoxy-3,4-dimethylhex-3-ene.
What is the SMILES notation for (E)-1,1-dimethoxy-3,4-dimethylhex-3-ene?
The canonical SMILES for (E)-1,1-dimethoxy-3,4-dimethylhex-3-ene is CC/C(C)=C(\C)CC(OC)OC.
What is the InChIKey of (E)-1,1-dimethoxy-3,4-dimethylhex-3-ene?
The InChIKey is CSFULHJVOSLZPG-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H20O2/c1-6-8(2)9(3)7-10(11-4)12-5/h10H,6-7H2,1-5H3/b9-8+.
What are the key properties of (E)-1,1-dimethoxy-3,4-dimethylhex-3-ene?
(E)-1,1-dimethoxy-3,4-dimethylhex-3-ene has a molecular weight of 172.27 g/mol, XLogP of 2.74, 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-3,4-dimethylhex-3-ene is sourced from PubChem (CID 10583333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).