ethane;(3E)-4-ethenyl-3-methoxy-7-methylocta-1,3-diene

C14H26O — CID 145360237

IUPACethane;(3E)-4-ethenyl-3-methoxy-7-methylocta-1,3-diene
SMILESC=C/C(CCC(C)C)=C(\C=C)OC.CC
InChIInChI=1S/C12H20O.C2H6/c1-6-11(9-8-10(3)4)12(7-2)13-5;1-2/h6-7,10H,1-2,8-9H2,3-5H3;1-2H3/b12-11-;
InChIKeyZDECCJMDJACVFX-AFEZEDKISA-N
MW210.36 g/mol
LogP4.72
Rot. Bonds6

About ethane;(3E)-4-ethenyl-3-methoxy-7-methylocta-1,3-diene

ethane;(3E)-4-ethenyl-3-methoxy-7-methylocta-1,3-diene (PubChem CID 145360237) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;(3E)-4-ethenyl-3-methoxy-7-methylocta-1,3-diene.

Molecular Properties

Compound Nameethane;(3E)-4-ethenyl-3-methoxy-7-methylocta-1,3-diene
PubChem CID145360237
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Nameethane;(3E)-4-ethenyl-3-methoxy-7-methylocta-1,3-diene
SMILESC=C/C(CCC(C)C)=C(\C=C)OC.CC
InChIInChI=1S/C12H20O.C2H6/c1-6-11(9-8-10(3)4)12(7-2)13-5;1-2/h6-7,10H,1-2,8-9H2,3-5H3;1-2H3/b12-11-;
InChIKeyZDECCJMDJACVFX-AFEZEDKISA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.72
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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Related Compounds

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CID 143105119
2,8-dimethyl-5-methylidenenonane
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2-methoxy-6-methylheptan-3-one
CID 79617250
3-(bromomethyl)-4-methoxypenta-1,3-diene
CID 123418656
3-methoxy-6-methylhept-2-enoic acid
CID 57199859
butan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene
CID 166807640
(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 144676252
3-methoxyprop-1-ene;3-methylbutan-1-ol
CID 87580492
(3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene
CID 143865057
[(3E)-4-methoxyhexa-1,3,5-trien-3-yl]boronic acid
CID 155579248
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CID 176935122

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-4-ethenyl-3-methoxy-7-methylocta-1,3-diene?
The IUPAC name of ethane;(3E)-4-ethenyl-3-methoxy-7-methylocta-1,3-diene (CID 145360237) is ethane;(3E)-4-ethenyl-3-methoxy-7-methylocta-1,3-diene.
What is the SMILES notation for ethane;(3E)-4-ethenyl-3-methoxy-7-methylocta-1,3-diene?
The canonical SMILES for ethane;(3E)-4-ethenyl-3-methoxy-7-methylocta-1,3-diene is C=C/C(CCC(C)C)=C(\C=C)OC.CC.
What is the InChIKey of ethane;(3E)-4-ethenyl-3-methoxy-7-methylocta-1,3-diene?
The InChIKey is ZDECCJMDJACVFX-AFEZEDKISA-N. The full InChI is InChI=1S/C12H20O.C2H6/c1-6-11(9-8-10(3)4)12(7-2)13-5;1-2/h6-7,10H,1-2,8-9H2,3-5H3;1-2H3/b12-11-;.
What are the key properties of ethane;(3E)-4-ethenyl-3-methoxy-7-methylocta-1,3-diene?
ethane;(3E)-4-ethenyl-3-methoxy-7-methylocta-1,3-diene has a molecular weight of 210.36 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-4-ethenyl-3-methoxy-7-methylocta-1,3-diene is sourced from PubChem (CID 145360237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).