4-[2,3-bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene

C24H38O3 — CID 23572290

IUPAC4-[2,3-bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene
SMILESC=C=CC(CC)COCC(COCC(C=C=C)CC)OCC(C=C=C)CC
InChIInChI=1S/C24H38O3/c1-7-13-21(10-4)16-25-19-24(27-18-23(12-6)15-9-3)20-26-17-22(11-5)14-8-2/h13-15,21-24H,1-3,10-12,16-20H2,4-6H3
InChIKeyQJZDMFRVGAZTQL-UHFFFAOYSA-N
MW374.57 g/mol
LogP5.51
Rot. Bonds17

About 4-[2,3-bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene

4-[2,3-bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene (PubChem CID 23572290) has the molecular formula C24H38O3 and a molecular weight of 374.57 g/mol. Its IUPAC name is 4-[2,3-bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene.

Molecular Properties

Compound Name4-[2,3-bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene
PubChem CID23572290
Molecular FormulaC24H38O3
Molecular Weight374.57 g/mol
Exact Mass374.28
IUPAC Name4-[2,3-bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene
SMILESC=C=CC(CC)COCC(COCC(C=C=C)CC)OCC(C=C=C)CC
InChIInChI=1S/C24H38O3/c1-7-13-21(10-4)16-25-19-24(27-18-23(12-6)15-9-3)20-26-17-22(11-5)14-8-2/h13-15,21-24H,1-3,10-12,16-20H2,4-6H3
InChIKeyQJZDMFRVGAZTQL-UHFFFAOYSA-N
XLogP5.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-Ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene
CID 23572289
4-[2,3-Bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene
CID 23572291
4-[[3-[2,3-Bis[2-(propoxymethyl)pent-4-enoxy]propoxy]-2-[2-(propoxymethyl)pent-4-enoxy]propoxy]methyl]-5-propoxypent-1-ene
CID 23572292
1-Ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane
CID 57180275
4-Butoxy-5-(2-butoxypent-4-enoxy)pent-1-ene
CID 140217531
1-Methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane
CID 146436633
4,5-Dimethoxy-3-methylpent-1-ene
CID 152266362
4-Methyl-4-[2-[2-[2-methyl-1-(2-methylpent-4-en-2-yloxy)propan-2-yl]oxy-3-propan-2-yloxypropoxy]propoxy]pent-1-ene
CID 155007185
4-[3-[2,3-Bis[[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene
CID 155007260
4-[3-[2,3-Bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene
CID 155007266
1,2-Dimethoxybutane;1,3-dimethoxy-2-methylpropane;1-methoxy-2-methylbutane;2-methoxy-3-methylpent-1-ene
CID 158987552
4-Methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropoxy]butoxy]pent-1-ene
CID 170054668

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene?
The IUPAC name of 4-[2,3-bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene (CID 23572290) is 4-[2,3-bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene.
What is the SMILES notation for 4-[2,3-bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene?
The canonical SMILES for 4-[2,3-bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene is C=C=CC(CC)COCC(COCC(C=C=C)CC)OCC(C=C=C)CC.
What is the InChIKey of 4-[2,3-bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene?
The InChIKey is QJZDMFRVGAZTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O3/c1-7-13-21(10-4)16-25-19-24(27-18-23(12-6)15-9-3)20-26-17-22(11-5)14-8-2/h13-15,21-24H,1-3,10-12,16-20H2,4-6H3.
What are the key properties of 4-[2,3-bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene?
4-[2,3-bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene has a molecular weight of 374.57 g/mol, XLogP of 5.51, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene is sourced from PubChem (CID 23572290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).