(3Z)-2-ethoxy-6-methyl-5-methylidenedeca-1,3-diene

C14H24O — CID 145154512

IUPAC(3Z)-2-ethoxy-6-methyl-5-methylidenedeca-1,3-diene
SMILESC=C(/C=C\C(=C)C(C)CCCC)OCC
InChIInChI=1S/C14H24O/c1-6-8-9-12(3)13(4)10-11-14(5)15-7-2/h10-12H,4-9H2,1-3H3/b11-10-
InChIKeyCZRHBVOOBNYCOX-KHPPLWFESA-N
MW208.34 g/mol
LogP4.48
Rot. Bonds8

About (3Z)-2-ethoxy-6-methyl-5-methylidenedeca-1,3-diene

(3Z)-2-ethoxy-6-methyl-5-methylidenedeca-1,3-diene (PubChem CID 145154512) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (3Z)-2-ethoxy-6-methyl-5-methylidenedeca-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-ethoxy-6-methyl-5-methylidenedeca-1,3-diene
PubChem CID145154512
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(3Z)-2-ethoxy-6-methyl-5-methylidenedeca-1,3-diene
SMILESC=C(/C=C\C(=C)C(C)CCCC)OCC
InChIInChI=1S/C14H24O/c1-6-8-9-12(3)13(4)10-11-14(5)15-7-2/h10-12H,4-9H2,1-3H3/b11-10-
InChIKeyCZRHBVOOBNYCOX-KHPPLWFESA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-ethoxy-6-methyl-5-methylidenedeca-1,3-diene?
The IUPAC name of (3Z)-2-ethoxy-6-methyl-5-methylidenedeca-1,3-diene (CID 145154512) is (3Z)-2-ethoxy-6-methyl-5-methylidenedeca-1,3-diene.
What is the SMILES notation for (3Z)-2-ethoxy-6-methyl-5-methylidenedeca-1,3-diene?
The canonical SMILES for (3Z)-2-ethoxy-6-methyl-5-methylidenedeca-1,3-diene is C=C(/C=C\C(=C)C(C)CCCC)OCC.
What is the InChIKey of (3Z)-2-ethoxy-6-methyl-5-methylidenedeca-1,3-diene?
The InChIKey is CZRHBVOOBNYCOX-KHPPLWFESA-N. The full InChI is InChI=1S/C14H24O/c1-6-8-9-12(3)13(4)10-11-14(5)15-7-2/h10-12H,4-9H2,1-3H3/b11-10-.
What are the key properties of (3Z)-2-ethoxy-6-methyl-5-methylidenedeca-1,3-diene?
(3Z)-2-ethoxy-6-methyl-5-methylidenedeca-1,3-diene has a molecular weight of 208.34 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-ethoxy-6-methyl-5-methylidenedeca-1,3-diene is sourced from PubChem (CID 145154512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).