(Z)-1-(1-butoxyethoxy)-4-methoxybut-2-ene

C11H22O3 — CID 134887894

IUPAC(Z)-1-(1-butoxyethoxy)-4-methoxybut-2-ene
SMILESCCCCOC(C)OC/C=C\COC
InChIInChI=1S/C11H22O3/c1-4-5-9-13-11(2)14-10-7-6-8-12-3/h6-7,11H,4-5,8-10H2,1-3H3/b7-6-
InChIKeyLMSLUKCBBIEHFM-SREVYHEPSA-N
MW202.29 g/mol
LogP2.37
Rot. Bonds9

About (Z)-1-(1-butoxyethoxy)-4-methoxybut-2-ene

(Z)-1-(1-butoxyethoxy)-4-methoxybut-2-ene (PubChem CID 134887894) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (Z)-1-(1-butoxyethoxy)-4-methoxybut-2-ene.

Molecular Properties

Compound Name(Z)-1-(1-butoxyethoxy)-4-methoxybut-2-ene
PubChem CID134887894
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(Z)-1-(1-butoxyethoxy)-4-methoxybut-2-ene
SMILESCCCCOC(C)OC/C=C\COC
InChIInChI=1S/C11H22O3/c1-4-5-9-13-11(2)14-10-7-6-8-12-3/h6-7,11H,4-5,8-10H2,1-3H3/b7-6-
InChIKeyLMSLUKCBBIEHFM-SREVYHEPSA-N
XLogP2.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-Diethoxy-2,6-nonadiene, (2E,6Z)-
CID 6364671
2-Hexenal diethyl acetal, (2E)-
CID 5365137
2,5-Dihydro-2,5-dimethoxyfuran
CID 78974
3,3-Diethoxy-1-propene
CID 62477
1,1-Diethoxyhex-2-ene
CID 93366
1,1-Diethoxynona-2,6-diene
CID 105533
1,3,3-Triethoxy-1-propene, (E)-
CID 5369370
2-Butene, 1,1-dimethoxy-
CID 5367935
1,1-Diethoxy-2,6-nonadiene, (2Z,6Z)-
CID 20838796
4,7-Dihydro-2-isopropyl-1,3-dioxepin
CID 79447
trans-2-Butenal diethyl acetal
CID 6278424
1,1-Diethoxy-2-butene
CID 99778

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1-butoxyethoxy)-4-methoxybut-2-ene?
The IUPAC name of (Z)-1-(1-butoxyethoxy)-4-methoxybut-2-ene (CID 134887894) is (Z)-1-(1-butoxyethoxy)-4-methoxybut-2-ene.
What is the SMILES notation for (Z)-1-(1-butoxyethoxy)-4-methoxybut-2-ene?
The canonical SMILES for (Z)-1-(1-butoxyethoxy)-4-methoxybut-2-ene is CCCCOC(C)OC/C=C\COC.
What is the InChIKey of (Z)-1-(1-butoxyethoxy)-4-methoxybut-2-ene?
The InChIKey is LMSLUKCBBIEHFM-SREVYHEPSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-5-9-13-11(2)14-10-7-6-8-12-3/h6-7,11H,4-5,8-10H2,1-3H3/b7-6-.
What are the key properties of (Z)-1-(1-butoxyethoxy)-4-methoxybut-2-ene?
(Z)-1-(1-butoxyethoxy)-4-methoxybut-2-ene has a molecular weight of 202.29 g/mol, XLogP of 2.37, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1-butoxyethoxy)-4-methoxybut-2-ene is sourced from PubChem (CID 134887894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).