ethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene

C13H24O — CID 142994407

IUPACethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene
SMILESC=C(/C=C\C(=C)CCOC)CC.CC
InChIInChI=1S/C11H18O.C2H6/c1-5-10(2)6-7-11(3)8-9-12-4;1-2/h6-7H,2-3,5,8-9H2,1,4H3;1-2H3/b7-6-;
InChIKeyGMEPDJNNGVPYFO-NAFXZHHSSA-N
MW196.33 g/mol
LogP4.13
Rot. Bonds6

About ethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene

ethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene (PubChem CID 142994407) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is ethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene.

Molecular Properties

Compound Nameethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene
PubChem CID142994407
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Nameethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene
SMILESC=C(/C=C\C(=C)CCOC)CC.CC
InChIInChI=1S/C11H18O.C2H6/c1-5-10(2)6-7-11(3)8-9-12-4;1-2/h6-7H,2-3,5,8-9H2,1,4H3;1-2H3/b7-6-;
InChIKeyGMEPDJNNGVPYFO-NAFXZHHSSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.13
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

2-bromo-5-methylidenehepta-1,3-diene
CID 123950056
(3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine
CID 142907359
(Z)-5-methylidenehept-3-en-2-one
CID 123321874
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
ethene;(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;prop-1-ene
CID 145122387
(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane
CID 144604196
ethyl (E)-4-methylidenehex-2-enoate
CID 11126476
(E)-3-methylidenepent-1-en-1-amine
CID 154554960
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359
(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145122159
5-methylidene-2-(trifluoromethyl)hepta-1,3-diene
CID 91256552
ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene
CID 143380166

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene?
The IUPAC name of ethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene (CID 142994407) is ethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene.
What is the SMILES notation for ethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene?
The canonical SMILES for ethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene is C=C(/C=C\C(=C)CCOC)CC.CC.
What is the InChIKey of ethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene?
The InChIKey is GMEPDJNNGVPYFO-NAFXZHHSSA-N. The full InChI is InChI=1S/C11H18O.C2H6/c1-5-10(2)6-7-11(3)8-9-12-4;1-2/h6-7H,2-3,5,8-9H2,1,4H3;1-2H3/b7-6-;.
What are the key properties of ethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene?
ethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene has a molecular weight of 196.33 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene is sourced from PubChem (CID 142994407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).