1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane

C13H20O — CID 123746501

IUPAC1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane
SMILESC=CC=C(C=C)OC1CCC(CC)C1
InChIInChI=1S/C13H20O/c1-4-7-12(6-3)14-13-9-8-11(5-2)10-13/h4,6-7,11,13H,1,3,5,8-10H2,2H3
InChIKeyJATYUTCBPPYQEX-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.84
Rot. Bonds5

About 1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane

1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane (PubChem CID 123746501) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane.

Molecular Properties

Compound Name1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane
PubChem CID123746501
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane
SMILESC=CC=C(C=C)OC1CCC(CC)C1
InChIInChI=1S/C13H20O/c1-4-7-12(6-3)14-13-9-8-11(5-2)10-13/h4,6-7,11,13H,1,3,5,8-10H2,2H3
InChIKeyJATYUTCBPPYQEX-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.84
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'}

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Related Compounds

4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine
CID 142009560
N-ethyl-3-[(3E)-hexa-1,3,5-trien-3-yl]oxycyclobutan-1-amine;molecular hydrogen
CID 178010614
(4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate
CID 173227335
ethenol;ethylcyclopropane
CID 18331953
ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-2-methylpyrrolidine-1-carbonitrile
CID 156892578
1,3-diethylcyclopentane
CID 530396
(2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine
CID 142913118
(3-ethyl-5-methylcyclohexyl) prop-2-enoate
CID 89367928
[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane
CID 178055171
3-ethylcyclopentan-1-ol;ethyl formate
CID 157424984
N-hexa-3,5-dien-3-ylmethanimine
CID 123675398
1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane
CID 143682718

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane?
The IUPAC name of 1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane (CID 123746501) is 1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane.
What is the SMILES notation for 1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane?
The canonical SMILES for 1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane is C=CC=C(C=C)OC1CCC(CC)C1.
What is the InChIKey of 1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane?
The InChIKey is JATYUTCBPPYQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-7-12(6-3)14-13-9-8-11(5-2)10-13/h4,6-7,11,13H,1,3,5,8-10H2,2H3.
What are the key properties of 1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane?
1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane has a molecular weight of 192.30 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane is sourced from PubChem (CID 123746501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).