3,5-dimethoxy-2,2-dimethylhex-3-ene

C10H20O2 — CID 91329386

IUPAC3,5-dimethoxy-2,2-dimethylhex-3-ene
SMILESCOC(=CC(C)OC)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-8(11-5)7-9(12-6)10(2,3)4/h7-8H,1-6H3
InChIKeyVIZNDCDQSVLOFE-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.60
Rot. Bonds3

About 3,5-dimethoxy-2,2-dimethylhex-3-ene

3,5-dimethoxy-2,2-dimethylhex-3-ene (PubChem CID 91329386) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3,5-dimethoxy-2,2-dimethylhex-3-ene.

Molecular Properties

Compound Name3,5-dimethoxy-2,2-dimethylhex-3-ene
PubChem CID91329386
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3,5-dimethoxy-2,2-dimethylhex-3-ene
SMILESCOC(=CC(C)OC)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-8(11-5)7-9(12-6)10(2,3)4/h7-8H,1-6H3
InChIKeyVIZNDCDQSVLOFE-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-3,3-dimethylbut-1-enyl]-2,3-dihydrofuran
CID 135056653
3-(3-Methylbut-2-enoxy)pent-2-ene
CID 56975354
(5E)-4,5-dimethoxy-2,2,7,7-tetramethylocta-3,5-diene
CID 57725517
(E)-4,4-dimethyl-1-propan-2-yloxypent-2-ene
CID 59470703
(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene
CID 59561715
(Z)-2,4-dimethoxypent-2-ene
CID 59957403
3,5-Dimethoxy-2,2,6,6-tetramethylhept-3-ene
CID 72326599
2,4-Dimethoxypent-2-ene
CID 72606549
(3E,5E)-4,5-dimethoxy-2,2-dimethylocta-3,5-diene
CID 88879017
(Z)-2,4-dimethoxy-4-methylpent-2-ene
CID 89682236
(Z)-2,4-dimethoxy-2-methylhex-3-ene
CID 89682237
5-Ethoxy-3-methoxy-2,2,6,6-tetramethylhept-3-ene
CID 90935262

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2,2-dimethylhex-3-ene?
The IUPAC name of 3,5-dimethoxy-2,2-dimethylhex-3-ene (CID 91329386) is 3,5-dimethoxy-2,2-dimethylhex-3-ene.
What is the SMILES notation for 3,5-dimethoxy-2,2-dimethylhex-3-ene?
The canonical SMILES for 3,5-dimethoxy-2,2-dimethylhex-3-ene is COC(=CC(C)OC)C(C)(C)C.
What is the InChIKey of 3,5-dimethoxy-2,2-dimethylhex-3-ene?
The InChIKey is VIZNDCDQSVLOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(11-5)7-9(12-6)10(2,3)4/h7-8H,1-6H3.
What are the key properties of 3,5-dimethoxy-2,2-dimethylhex-3-ene?
3,5-dimethoxy-2,2-dimethylhex-3-ene has a molecular weight of 172.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2,2-dimethylhex-3-ene is sourced from PubChem (CID 91329386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).