1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene

C13H20 — CID 123297177

IUPAC1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene
SMILESC=C(C)C(CC)C(=C)C1=C(C)CC1
InChIInChI=1S/C13H20/c1-6-12(9(2)3)11(5)13-8-7-10(13)4/h12H,2,5-8H2,1,3-4H3
InChIKeyZDSZUABNVKIQDY-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.26
Rot. Bonds4

About 1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene

1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene (PubChem CID 123297177) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene.

Molecular Properties

Compound Name1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene
PubChem CID123297177
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene
SMILESC=C(C)C(CC)C(=C)C1=C(C)CC1
InChIInChI=1S/C13H20/c1-6-12(9(2)3)11(5)13-8-7-10(13)4/h12H,2,5-8H2,1,3-4H3
InChIKeyZDSZUABNVKIQDY-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylcyclobuten-1-yl)but-3-en-1-amine
CID 163975910
1-(2-methylcyclobuten-1-yl)ethanone
CID 15560815
1-O-ethyl 3-O-prop-2-enyl 2-ethylpropanedioate
CID 57172594
1-(3-fluorobut-1-en-2-yl)-2-methylcyclopentene
CID 143343557
3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine
CID 55284564
ethyl (2S)-2-methyl-5-(2-methylcyclobuten-1-yl)-2-prop-2-enylhexa-3,4-dienoate
CID 134884817
1-methyl-2-[(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopentene
CID 142393480
1-O-ethyl 3-O-(5-methylhexa-1,5-dien-3-yl) 2-ethylpropanedioate
CID 174742895
4-ethyl-2,3-dimethylhexa-1,5-diene
CID 54442334
2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride
CID 173089642
3-methyl-5-(2-methylcyclopenten-1-yl)-2-propylhex-5-enoic acid;(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-triene
CID 170567584
4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene
CID 145324638

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene?
The IUPAC name of 1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene (CID 123297177) is 1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene.
What is the SMILES notation for 1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene?
The canonical SMILES for 1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene is C=C(C)C(CC)C(=C)C1=C(C)CC1.
What is the InChIKey of 1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene?
The InChIKey is ZDSZUABNVKIQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-6-12(9(2)3)11(5)13-8-7-10(13)4/h12H,2,5-8H2,1,3-4H3.
What are the key properties of 1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene?
1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene has a molecular weight of 176.30 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene is sourced from PubChem (CID 123297177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).