ethane;(Z)-4-ethyl-2-methoxy-5-methylhex-2-ene

C12H26O — CID 143699674

IUPACethane;(Z)-4-ethyl-2-methoxy-5-methylhex-2-ene
SMILESCC.CCC(/C=C(/C)OC)C(C)C
InChIInChI=1S/C10H20O.C2H6/c1-6-10(8(2)3)7-9(4)11-5;1-2/h7-8,10H,6H2,1-5H3;1-2H3/b9-7-;
InChIKeyWQUYEGMLWVQIKE-VILQZVERSA-N
MW186.34 g/mol
LogP4.24
Rot. Bonds4

About ethane;(Z)-4-ethyl-2-methoxy-5-methylhex-2-ene

ethane;(Z)-4-ethyl-2-methoxy-5-methylhex-2-ene (PubChem CID 143699674) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is ethane;(Z)-4-ethyl-2-methoxy-5-methylhex-2-ene.

Molecular Properties

Compound Nameethane;(Z)-4-ethyl-2-methoxy-5-methylhex-2-ene
PubChem CID143699674
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Nameethane;(Z)-4-ethyl-2-methoxy-5-methylhex-2-ene
SMILESCC.CCC(/C=C(/C)OC)C(C)C
InChIInChI=1S/C10H20O.C2H6/c1-6-10(8(2)3)7-9(4)11-5;1-2/h7-8,10H,6H2,1-5H3;1-2H3/b9-7-;
InChIKeyWQUYEGMLWVQIKE-VILQZVERSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 ethane;(Z)-4-ethyl-2-methoxy-5-methylhex-2-ene?
The IUPAC name of ethane;(Z)-4-ethyl-2-methoxy-5-methylhex-2-ene (CID 143699674) is ethane;(Z)-4-ethyl-2-methoxy-5-methylhex-2-ene.
What is the SMILES notation for ethane;(Z)-4-ethyl-2-methoxy-5-methylhex-2-ene?
The canonical SMILES for ethane;(Z)-4-ethyl-2-methoxy-5-methylhex-2-ene is CC.CCC(/C=C(/C)OC)C(C)C.
What is the InChIKey of ethane;(Z)-4-ethyl-2-methoxy-5-methylhex-2-ene?
The InChIKey is WQUYEGMLWVQIKE-VILQZVERSA-N. The full InChI is InChI=1S/C10H20O.C2H6/c1-6-10(8(2)3)7-9(4)11-5;1-2/h7-8,10H,6H2,1-5H3;1-2H3/b9-7-;.
What are the key properties of ethane;(Z)-4-ethyl-2-methoxy-5-methylhex-2-ene?
ethane;(Z)-4-ethyl-2-methoxy-5-methylhex-2-ene has a molecular weight of 186.34 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-4-ethyl-2-methoxy-5-methylhex-2-ene is sourced from PubChem (CID 143699674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).