(4Z)-2-ethoxy-4-heptylideneoxolane

C13H24O2 — CID 14020269

IUPAC(4Z)-2-ethoxy-4-heptylideneoxolane
SMILESCCCCCC/C=C1\COC(OCC)C1
InChIInChI=1S/C13H24O2/c1-3-5-6-7-8-9-12-10-13(14-4-2)15-11-12/h9,13H,3-8,10-11H2,1-2H3/b12-9-
InChIKeyHBFUKJKPOKVGHT-XFXZXTDPSA-N
MW212.33 g/mol
LogP3.67
Rot. Bonds7

About (4Z)-2-ethoxy-4-heptylideneoxolane

(4Z)-2-ethoxy-4-heptylideneoxolane (PubChem CID 14020269) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (4Z)-2-ethoxy-4-heptylideneoxolane.

Molecular Properties

Compound Name(4Z)-2-ethoxy-4-heptylideneoxolane
PubChem CID14020269
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(4Z)-2-ethoxy-4-heptylideneoxolane
SMILESCCCCCC/C=C1\COC(OCC)C1
InChIInChI=1S/C13H24O2/c1-3-5-6-7-8-9-12-10-13(14-4-2)15-11-12/h9,13H,3-8,10-11H2,1-2H3/b12-9-
InChIKeyHBFUKJKPOKVGHT-XFXZXTDPSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptadecylidenecyclopropane
CID 19760704
dodecylidenecyclobutane
CID 176570971
decylidenecyclobutane
CID 15365573
hexylidenecyclobutane
CID 86127710
3-hexadecylidenecyclohexan-1-ol
CID 91228547
3-octylidenepyrrolidine
CID 79879694
(3E)-3-dodecylidenepyrrolidine
CID 134081400
2-butoxy-4-propan-2-ylideneoxolane
CID 11137807
4-hexylidenepiperidine;hydrochloride
CID 18963728
ethyl 2-(4-hexadecylidenecyclohexyl)oxyethyl hydrogen phosphate
CID 173180077
(3Z,5R)-3-decylidene-5-methyloxolan-2-one
CID 124636115
(4Z)-4-nonylideneazepane
CID 103983668

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-ethoxy-4-heptylideneoxolane?
The IUPAC name of (4Z)-2-ethoxy-4-heptylideneoxolane (CID 14020269) is (4Z)-2-ethoxy-4-heptylideneoxolane.
What is the SMILES notation for (4Z)-2-ethoxy-4-heptylideneoxolane?
The canonical SMILES for (4Z)-2-ethoxy-4-heptylideneoxolane is CCCCCC/C=C1\COC(OCC)C1.
What is the InChIKey of (4Z)-2-ethoxy-4-heptylideneoxolane?
The InChIKey is HBFUKJKPOKVGHT-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-5-6-7-8-9-12-10-13(14-4-2)15-11-12/h9,13H,3-8,10-11H2,1-2H3/b12-9-.
What are the key properties of (4Z)-2-ethoxy-4-heptylideneoxolane?
(4Z)-2-ethoxy-4-heptylideneoxolane has a molecular weight of 212.33 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-ethoxy-4-heptylideneoxolane is sourced from PubChem (CID 14020269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).