(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane

C15H32O2 — CID 144918412

IUPAC(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane
SMILESCC.CO/C(=C\C(OC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H26O2.C2H6/c1-12(2,3)10(14-7)9-11(15-8)13(4,5)6;1-2/h9-10H,1-8H3;1-2H3/b11-9-;
InChIKeyLKVHXJPHOHACBB-KSIDEHCFSA-N
MW244.42 g/mol
LogP4.65
Rot. Bonds3

About (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane

(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane (PubChem CID 144918412) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane.

Molecular Properties

Compound Name(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane
PubChem CID144918412
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane
SMILESCC.CO/C(=C\C(OC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H26O2.C2H6/c1-12(2,3)10(14-7)9-11(15-8)13(4,5)6;1-2/h9-10H,1-8H3;1-2H3/b11-9-;
InChIKeyLKVHXJPHOHACBB-KSIDEHCFSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.65
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane?
The IUPAC name of (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane (CID 144918412) is (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane.
What is the SMILES notation for (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane?
The canonical SMILES for (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane is CC.CO/C(=C\C(OC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane?
The InChIKey is LKVHXJPHOHACBB-KSIDEHCFSA-N. The full InChI is InChI=1S/C13H26O2.C2H6/c1-12(2,3)10(14-7)9-11(15-8)13(4,5)6;1-2/h9-10H,1-8H3;1-2H3/b11-9-;.
What are the key properties of (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane?
(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane has a molecular weight of 244.42 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane is sourced from PubChem (CID 144918412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).