ethane;(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene

C12H22O — CID 142367342

IUPACethane;(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene
SMILESC=C/C=C\C(=C)CCOCC.CC
InChIInChI=1S/C10H16O.C2H6/c1-4-6-7-10(3)8-9-11-5-2;1-2/h4,6-7H,1,3,5,8-9H2,2H3;1-2H3/b7-6-;
InChIKeyRWSVEKALUYHWBE-NAFXZHHSSA-N
MW182.31 g/mol
LogP3.74
Rot. Bonds6

About ethane;(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene

ethane;(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene (PubChem CID 142367342) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Nameethane;(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene
PubChem CID142367342
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Nameethane;(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene
SMILESC=C/C=C\C(=C)CCOCC.CC
InChIInChI=1S/C10H16O.C2H6/c1-4-6-7-10(3)8-9-11-5-2;1-2/h4,6-7H,1,3,5,8-9H2,2H3;1-2H3/b7-6-;
InChIKeyRWSVEKALUYHWBE-NAFXZHHSSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene?
The IUPAC name of ethane;(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene (CID 142367342) is ethane;(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene.
What is the SMILES notation for ethane;(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene?
The canonical SMILES for ethane;(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene is C=C/C=C\C(=C)CCOCC.CC.
What is the InChIKey of ethane;(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene?
The InChIKey is RWSVEKALUYHWBE-NAFXZHHSSA-N. The full InChI is InChI=1S/C10H16O.C2H6/c1-4-6-7-10(3)8-9-11-5-2;1-2/h4,6-7H,1,3,5,8-9H2,2H3;1-2H3/b7-6-;.
What are the key properties of ethane;(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene?
ethane;(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene has a molecular weight of 182.31 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 142367342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).