3-butoxy-4-methoxyhexa-2,4-diene

C11H20O2 — CID 175251370

IUPAC3-butoxy-4-methoxyhexa-2,4-diene
SMILESCC=C(OC)C(=CC)OCCCC
InChIInChI=1S/C11H20O2/c1-5-8-9-13-11(7-3)10(6-2)12-4/h6-7H,5,8-9H2,1-4H3
InChIKeyRMSLMGYXKRSZAV-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.26
Rot. Bonds6

About 3-butoxy-4-methoxyhexa-2,4-diene

3-butoxy-4-methoxyhexa-2,4-diene (PubChem CID 175251370) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-butoxy-4-methoxyhexa-2,4-diene.

Molecular Properties

Compound Name3-butoxy-4-methoxyhexa-2,4-diene
PubChem CID175251370
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-butoxy-4-methoxyhexa-2,4-diene
SMILESCC=C(OC)C(=CC)OCCCC
InChIInChI=1S/C11H20O2/c1-5-8-9-13-11(7-3)10(6-2)12-4/h6-7H,5,8-9H2,1-4H3
InChIKeyRMSLMGYXKRSZAV-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dibutoxyhexa-2,4-diene
CID 141019728
2-butoxybut-2-enoic acid
CID 174830765
(3E,5E)-2-bromo-5-butoxy-4-methylhepta-1,3,5-triene
CID 130335445
dibutyl 2,3-di(ethylidene)butanedioate
CID 89106710
oxiran-2-ylmethyl 2-butoxybut-2-enoate
CID 174830768
3,4-diethoxyhexa-2,4-diene
CID 141009141
(butoxycarbonylamino) 2,2-dimethylpropanoate
CID 174862804
4-O-butyl 1-O-methyl butanedioate;bis(ethane-1,2-diol);tetrakis(prop-1-ene)
CID 173079010
butyl prop-2-enoate;methyl but-2-enoate
CID 87743393
1-O-butyl 3-O-methyl 2-aminopropanedioate
CID 54125098
1-O-butyl 4-O-(2-methoxyethyl) (Z)-but-2-enedioate
CID 87125961
(E)-1-decoxyprop-1-en-1-amine
CID 88696659

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-4-methoxyhexa-2,4-diene?
The IUPAC name of 3-butoxy-4-methoxyhexa-2,4-diene (CID 175251370) is 3-butoxy-4-methoxyhexa-2,4-diene.
What is the SMILES notation for 3-butoxy-4-methoxyhexa-2,4-diene?
The canonical SMILES for 3-butoxy-4-methoxyhexa-2,4-diene is CC=C(OC)C(=CC)OCCCC.
What is the InChIKey of 3-butoxy-4-methoxyhexa-2,4-diene?
The InChIKey is RMSLMGYXKRSZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-8-9-13-11(7-3)10(6-2)12-4/h6-7H,5,8-9H2,1-4H3.
What are the key properties of 3-butoxy-4-methoxyhexa-2,4-diene?
3-butoxy-4-methoxyhexa-2,4-diene has a molecular weight of 184.28 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-4-methoxyhexa-2,4-diene is sourced from PubChem (CID 175251370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).