1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane

C13H22O — CID 143682718

IUPAC1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane
SMILESC/C=C\C(=C/CC)OC1CC(CC)C1
InChIInChI=1S/C13H22O/c1-4-7-12(8-5-2)14-13-9-11(6-3)10-13/h4,7-8,11,13H,5-6,9-10H2,1-3H3/b7-4-,12-8+
InChIKeyIVQKQPRKAUYAFC-OTIJGBKASA-N
MW194.32 g/mol
LogP4.06
Rot. Bonds5

About 1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane

1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane (PubChem CID 143682718) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane.

Molecular Properties

Compound Name1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane
PubChem CID143682718
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane
SMILESC/C=C\C(=C/CC)OC1CC(CC)C1
InChIInChI=1S/C13H22O/c1-4-7-12(8-5-2)14-13-9-11(6-3)10-13/h4,7-8,11,13H,5-6,9-10H2,1-3H3/b7-4-,12-8+
InChIKeyIVQKQPRKAUYAFC-OTIJGBKASA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3Z,5Z,7E)-7-bromonona-3,5,7-trien-4-yl]oxycyclobutane
CID 155583299
(2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene
CID 156533724
(3-ethyl-5-methylcyclohexyl) prop-2-enoate
CID 89367928
1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane
CID 123746501
1-ethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutane
CID 90210270
(E)-N-(cyclopropylmethyl)but-2-enamide
CID 22978312
(3,5,7-trimethylcyclooctyl) (E)-but-2-enoate
CID 156697946
triethyl-[(2E,4E)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexa-2,4-dienyl]germane
CID 134905046
1,3-diethylcyclobutane;methane;propane
CID 161327157
ethane;[4-[(2Z,4E)-hepta-2,4-dien-4-yl]oxyphenyl]-methoxyborinate;rubidium(1+)
CID 145271332
(2Z,4E)-4-methylsulfanylhepta-2,4-diene
CID 89346881
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine
CID 88582834

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane?
The IUPAC name of 1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane (CID 143682718) is 1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane.
What is the SMILES notation for 1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane?
The canonical SMILES for 1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane is C/C=C\C(=C/CC)OC1CC(CC)C1.
What is the InChIKey of 1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane?
The InChIKey is IVQKQPRKAUYAFC-OTIJGBKASA-N. The full InChI is InChI=1S/C13H22O/c1-4-7-12(8-5-2)14-13-9-11(6-3)10-13/h4,7-8,11,13H,5-6,9-10H2,1-3H3/b7-4-,12-8+.
What are the key properties of 1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane?
1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane has a molecular weight of 194.32 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane is sourced from PubChem (CID 143682718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).