ethane;(1Z)-1-methoxybuta-1,3-diene

C9H20O — CID 143380385

IUPACethane;(1Z)-1-methoxybuta-1,3-diene
SMILESC=C/C=C\OC.CC.CC
InChIInChI=1S/C5H8O.2C2H6/c1-3-4-5-6-2;2*1-2/h3-5H,1H2,2H3;2*1-2H3/b5-4-;;
InChIKeyHDTBELDGCLKVFF-WNCVTPEDSA-N
MW144.26 g/mol
LogP3.38
Rot. Bonds2

About ethane;(1Z)-1-methoxybuta-1,3-diene

ethane;(1Z)-1-methoxybuta-1,3-diene (PubChem CID 143380385) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is ethane;(1Z)-1-methoxybuta-1,3-diene.

Molecular Properties

Compound Nameethane;(1Z)-1-methoxybuta-1,3-diene
PubChem CID143380385
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Nameethane;(1Z)-1-methoxybuta-1,3-diene
SMILESC=C/C=C\OC.CC.CC
InChIInChI=1S/C5H8O.2C2H6/c1-3-4-5-6-2;2*1-2/h3-5H,1H2,2H3;2*1-2H3/b5-4-;;
InChIKeyHDTBELDGCLKVFF-WNCVTPEDSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 53.38
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

1-methoxybuta-1,3-diene;methylsilane;hydrate
CID 174960455
1-methoxybuta-1,3-diene;3-methoxyprop-1-yne
CID 160966775
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
1,8-dimethoxyocta-1,3,5,7-tetraene
CID 163444931
1-(2-methoxyethoxy)buta-1,3-diene
CID 123812918
(1E)-1-ethoxybuta-1,3-diene
CID 5462978
O-[(1Z)-buta-1,3-dienyl]hydroxylamine
CID 143339294
1-ethenoxybuta-1,3-diene
CID 56983443
ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
(1Z)-N-methoxybuta-1,3-dien-1-amine
CID 146939245
but-1-ene;ethane;(3Z)-hexa-1,3,5-triene
CID 144520758
(1E,3E,5E,7E)-1-methoxynona-1,3,5,7-tetraene
CID 6440136

Frequently Asked Questions

What is the IUPAC name of ethane;(1Z)-1-methoxybuta-1,3-diene?
The IUPAC name of ethane;(1Z)-1-methoxybuta-1,3-diene (CID 143380385) is ethane;(1Z)-1-methoxybuta-1,3-diene.
What is the SMILES notation for ethane;(1Z)-1-methoxybuta-1,3-diene?
The canonical SMILES for ethane;(1Z)-1-methoxybuta-1,3-diene is C=C/C=C\OC.CC.CC.
What is the InChIKey of ethane;(1Z)-1-methoxybuta-1,3-diene?
The InChIKey is HDTBELDGCLKVFF-WNCVTPEDSA-N. The full InChI is InChI=1S/C5H8O.2C2H6/c1-3-4-5-6-2;2*1-2/h3-5H,1H2,2H3;2*1-2H3/b5-4-;;.
What are the key properties of ethane;(1Z)-1-methoxybuta-1,3-diene?
ethane;(1Z)-1-methoxybuta-1,3-diene has a molecular weight of 144.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z)-1-methoxybuta-1,3-diene is sourced from PubChem (CID 143380385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).