(5-ethoxy-4-methylidenehexa-1,5-dien-2-yl)oxycyclohexane

C15H24O2 — CID 146668622

IUPAC(5-ethoxy-4-methylidenehexa-1,5-dien-2-yl)oxycyclohexane
SMILESC=C(CC(=C)C(=C)OCC)OC1CCCCC1
InChIInChI=1S/C15H24O2/c1-5-16-14(4)12(2)11-13(3)17-15-9-7-6-8-10-15/h15H,2-11H2,1H3
InChIKeyDBVYBPXHDOMZNX-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.35
Rot. Bonds7

About (5-ethoxy-4-methylidenehexa-1,5-dien-2-yl)oxycyclohexane

(5-ethoxy-4-methylidenehexa-1,5-dien-2-yl)oxycyclohexane (PubChem CID 146668622) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (5-ethoxy-4-methylidenehexa-1,5-dien-2-yl)oxycyclohexane.

Molecular Properties

Compound Name(5-ethoxy-4-methylidenehexa-1,5-dien-2-yl)oxycyclohexane
PubChem CID146668622
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(5-ethoxy-4-methylidenehexa-1,5-dien-2-yl)oxycyclohexane
SMILESC=C(CC(=C)C(=C)OCC)OC1CCCCC1
InChIInChI=1S/C15H24O2/c1-5-16-14(4)12(2)11-13(3)17-15-9-7-6-8-10-15/h15H,2-11H2,1H3
InChIKeyDBVYBPXHDOMZNX-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethyl 2-cyclohexyloxyprop-2-enoate
CID 66651872
cyclododecyl 2-methylidenebutanoate
CID 57244431
3-methylbuta-1,3-dien-2-yloxycyclopentane
CID 163541173
5-ethoxy-1-methoxy-4-methylidenehex-5-en-2-one
CID 130255923
ethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate
CID 163227837
cyclohexyl N-ethylcarbamate
CID 22978796
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
1-cyclohexyloxy-1-ethoxy-N-hexylmethanimine
CID 23318353
cyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate
CID 66947933
dicyclononyl carbonate
CID 139618210
ethoxycyclooctane
CID 13427982
4-O-cyclobutyl 1-O-ethyl butanedioate
CID 91702391

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-4-methylidenehexa-1,5-dien-2-yl)oxycyclohexane?
The IUPAC name of (5-ethoxy-4-methylidenehexa-1,5-dien-2-yl)oxycyclohexane (CID 146668622) is (5-ethoxy-4-methylidenehexa-1,5-dien-2-yl)oxycyclohexane.
What is the SMILES notation for (5-ethoxy-4-methylidenehexa-1,5-dien-2-yl)oxycyclohexane?
The canonical SMILES for (5-ethoxy-4-methylidenehexa-1,5-dien-2-yl)oxycyclohexane is C=C(CC(=C)C(=C)OCC)OC1CCCCC1.
What is the InChIKey of (5-ethoxy-4-methylidenehexa-1,5-dien-2-yl)oxycyclohexane?
The InChIKey is DBVYBPXHDOMZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-16-14(4)12(2)11-13(3)17-15-9-7-6-8-10-15/h15H,2-11H2,1H3.
What are the key properties of (5-ethoxy-4-methylidenehexa-1,5-dien-2-yl)oxycyclohexane?
(5-ethoxy-4-methylidenehexa-1,5-dien-2-yl)oxycyclohexane has a molecular weight of 236.35 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-4-methylidenehexa-1,5-dien-2-yl)oxycyclohexane is sourced from PubChem (CID 146668622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).