(3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene

C12H20O — CID 143338030

IUPAC(3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene
SMILESC=C/C(=C\C=C/CC)CC(C)OC
InChIInChI=1S/C12H20O/c1-5-7-8-9-12(6-2)10-11(3)13-4/h6-9,11H,2,5,10H2,1,3-4H3/b8-7-,12-9+
InChIKeyCAZSVZREWMVHJH-HVTAIUIQSA-N
MW180.29 g/mol
LogP3.49
Rot. Bonds6

About (3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene

(3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene (PubChem CID 143338030) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene.

Molecular Properties

Compound Name(3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene
PubChem CID143338030
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene
SMILESC=C/C(=C\C=C/CC)CC(C)OC
InChIInChI=1S/C12H20O/c1-5-7-8-9-12(6-2)10-11(3)13-4/h6-9,11H,2,5,10H2,1,3-4H3/b8-7-,12-9+
InChIKeyCAZSVZREWMVHJH-HVTAIUIQSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-ethylidene-5-methoxyhex-1-ene
CID 145145637
(4Z,6Z)-4-ethenylnona-4,6-dienoic acid
CID 176673158
(3E,5Z)-3-chloroocta-1,3,5-triene
CID 143682156
(3Z)-4-ethenyl-6-methylocta-1,3,7-triene
CID 145342446
(1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene
CID 143348268
(2E,4Z)-2-ethenylhepta-2,4-dienal
CID 129060259
cobalt;hexa-1,3-diene
CID 174676950
ethane-1,2-diol;(3E)-hexa-1,3-diene
CID 87937572
azanium;hexa-1,3-diene;chloride
CID 161298695
(3Z,5Z)-6-ethyl-7,8-dimethylnona-3,5-diene
CID 143683462
[(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium
CID 142322439
[(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate
CID 177245835

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene?
The IUPAC name of (3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene (CID 143338030) is (3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene.
What is the SMILES notation for (3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene?
The canonical SMILES for (3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene is C=C/C(=C\C=C/CC)CC(C)OC.
What is the InChIKey of (3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene?
The InChIKey is CAZSVZREWMVHJH-HVTAIUIQSA-N. The full InChI is InChI=1S/C12H20O/c1-5-7-8-9-12(6-2)10-11(3)13-4/h6-9,11H,2,5,10H2,1,3-4H3/b8-7-,12-9+.
What are the key properties of (3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene?
(3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene has a molecular weight of 180.29 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene is sourced from PubChem (CID 143338030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).