7,10-dibutoxydeca-1,4-dien-3-one

C18H32O3 — CID 163031378

IUPAC7,10-dibutoxydeca-1,4-dien-3-one
SMILESC=CC(=O)C=CCC(CCCOCCCC)OCCCC
InChIInChI=1S/C18H32O3/c1-4-7-14-20-15-10-13-18(21-16-8-5-2)12-9-11-17(19)6-3/h6,9,11,18H,3-5,7-8,10,12-16H2,1-2H3
InChIKeyHGIXWNAQTIRBRE-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.47
Rot. Bonds15

About 7,10-dibutoxydeca-1,4-dien-3-one

7,10-dibutoxydeca-1,4-dien-3-one (PubChem CID 163031378) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 7,10-dibutoxydeca-1,4-dien-3-one.

Molecular Properties

Compound Name7,10-dibutoxydeca-1,4-dien-3-one
PubChem CID163031378
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name7,10-dibutoxydeca-1,4-dien-3-one
SMILESC=CC(=O)C=CCC(CCCOCCCC)OCCCC
InChIInChI=1S/C18H32O3/c1-4-7-14-20-15-10-13-18(21-16-8-5-2)12-9-11-17(19)6-3/h6,9,11,18H,3-5,7-8,10,12-16H2,1-2H3
InChIKeyHGIXWNAQTIRBRE-UHFFFAOYSA-N
XLogP4.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 163057517
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2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid
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1,2-dibutoxyhexane
CID 19805858
(4E)-octadeca-1,4-dien-3-one
CID 15922391
1-(4-octoxyhexoxy)nonane
CID 173430678
3-(3-propoxypropoxy)hexanal
CID 88612041
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate
CID 102433631
[4-(2-butoxyethoxy)-6-ethoxyhexyl] hydrogen carbonate
CID 139923295
5-hexoxypentyl prop-2-enoate
CID 141336215
5-(2-butoxyethoxy)decanethioic S-acid
CID 155100425
2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate
CID 88684060

Frequently Asked Questions

What is the IUPAC name of 7,10-dibutoxydeca-1,4-dien-3-one?
The IUPAC name of 7,10-dibutoxydeca-1,4-dien-3-one (CID 163031378) is 7,10-dibutoxydeca-1,4-dien-3-one.
What is the SMILES notation for 7,10-dibutoxydeca-1,4-dien-3-one?
The canonical SMILES for 7,10-dibutoxydeca-1,4-dien-3-one is C=CC(=O)C=CCC(CCCOCCCC)OCCCC.
What is the InChIKey of 7,10-dibutoxydeca-1,4-dien-3-one?
The InChIKey is HGIXWNAQTIRBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-4-7-14-20-15-10-13-18(21-16-8-5-2)12-9-11-17(19)6-3/h6,9,11,18H,3-5,7-8,10,12-16H2,1-2H3.
What are the key properties of 7,10-dibutoxydeca-1,4-dien-3-one?
7,10-dibutoxydeca-1,4-dien-3-one has a molecular weight of 296.45 g/mol, XLogP of 4.47, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dibutoxydeca-1,4-dien-3-one is sourced from PubChem (CID 163031378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).