[(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane

C13H20O — CID 89174418

IUPAC[(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane
SMILESC=C/C=C\C(=C)COC1CCCCC1
InChIInChI=1S/C13H20O/c1-3-4-8-12(2)11-14-13-9-6-5-7-10-13/h3-4,8,13H,1-2,5-7,9-11H2/b8-4-
InChIKeyFKXGMHDZYUMGNM-YWEYNIOJSA-N
MW192.30 g/mol
LogP3.63
Rot. Bonds5

About [(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane

[(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane (PubChem CID 89174418) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is [(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane.

Molecular Properties

Compound Name[(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane
PubChem CID89174418
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name[(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane
SMILESC=C/C=C\C(=C)COC1CCCCC1
InChIInChI=1S/C13H20O/c1-3-4-8-12(2)11-14-13-9-6-5-7-10-13/h3-4,8,13H,1-2,5-7,9-11H2/b8-4-
InChIKeyFKXGMHDZYUMGNM-YWEYNIOJSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromoprop-2-enoxycycloheptane
CID 88586401
(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
CID 143096583
[(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane
CID 89174398
ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene
CID 143500367
1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane
CID 154973670
2-cycloheptyloxyacetic acid
CID 61069533
2-cyclododecyloxyacetic acid
CID 19371812
cyclooctyloxymethylsilane
CID 157063356
buta-1,3-dienyl(tricyclopentyloxy)silane
CID 141377464
buta-1,3-dien-2-yloxycyclohexane
CID 142221806
3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol
CID 139572007
1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol
CID 60635341

Frequently Asked Questions

What is the IUPAC name of [(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane?
The IUPAC name of [(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane (CID 89174418) is [(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane.
What is the SMILES notation for [(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane?
The canonical SMILES for [(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane is C=C/C=C\C(=C)COC1CCCCC1.
What is the InChIKey of [(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane?
The InChIKey is FKXGMHDZYUMGNM-YWEYNIOJSA-N. The full InChI is InChI=1S/C13H20O/c1-3-4-8-12(2)11-14-13-9-6-5-7-10-13/h3-4,8,13H,1-2,5-7,9-11H2/b8-4-.
What are the key properties of [(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane?
[(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane has a molecular weight of 192.30 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane is sourced from PubChem (CID 89174418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).