ethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane

C12H26O — CID 144519412

IUPACethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane
SMILESC=C(CCOCC)C(C)(C)C.CC
InChIInChI=1S/C10H20O.C2H6/c1-6-11-8-7-9(2)10(3,4)5;1-2/h2,6-8H2,1,3-5H3;1-2H3
InChIKeyIIFDBJNTUNNWBU-UHFFFAOYSA-N
MW186.34 g/mol
LogP4.04
Rot. Bonds4

About ethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane

ethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane (PubChem CID 144519412) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is ethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane.

Molecular Properties

Compound Nameethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane
PubChem CID144519412
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Nameethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane
SMILESC=C(CCOCC)C(C)(C)C.CC
InChIInChI=1S/C10H20O.C2H6/c1-6-11-8-7-9(2)10(3,4)5;1-2/h2,6-8H2,1,3-5H3;1-2H3
InChIKeyIIFDBJNTUNNWBU-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane?
The IUPAC name of ethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane (CID 144519412) is ethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane.
What is the SMILES notation for ethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane?
The canonical SMILES for ethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane is C=C(CCOCC)C(C)(C)C.CC.
What is the InChIKey of ethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane?
The InChIKey is IIFDBJNTUNNWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C2H6/c1-6-11-8-7-9(2)10(3,4)5;1-2/h2,6-8H2,1,3-5H3;1-2H3.
What are the key properties of ethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane?
ethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane has a molecular weight of 186.34 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane is sourced from PubChem (CID 144519412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).