(2Z)-2-hepta-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene

C14H14O2 — CID 91692753

IUPAC(2Z)-2-hepta-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
SMILESCCC#CC#C/C=C1/C=CC2(CCCO2)O1
InChIInChI=1S/C14H14O2/c1-2-3-4-5-6-8-13-9-11-14(16-13)10-7-12-15-14/h8-9,11H,2,7,10,12H2,1H3/b13-8-
InChIKeySDEBTHGVRKGQTB-JYRVWZFOSA-N
MW214.26 g/mol
LogP2.38
Rot. Bonds

About (2Z)-2-hepta-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene

(2Z)-2-hepta-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene (PubChem CID 91692753) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2Z)-2-hepta-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name(2Z)-2-hepta-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
PubChem CID91692753
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name(2Z)-2-hepta-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
SMILESCCC#CC#C/C=C1/C=CC2(CCCO2)O1
InChIInChI=1S/C14H14O2/c1-2-3-4-5-6-8-13-9-11-14(16-13)10-7-12-15-14/h8-9,11H,2,7,10,12H2,1H3/b13-8-
InChIKeySDEBTHGVRKGQTB-JYRVWZFOSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hepta-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene?
The IUPAC name of (2Z)-2-hepta-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene (CID 91692753) is (2Z)-2-hepta-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene.
What is the SMILES notation for (2Z)-2-hepta-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene?
The canonical SMILES for (2Z)-2-hepta-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene is CCC#CC#C/C=C1/C=CC2(CCCO2)O1.
What is the InChIKey of (2Z)-2-hepta-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene?
The InChIKey is SDEBTHGVRKGQTB-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H14O2/c1-2-3-4-5-6-8-13-9-11-14(16-13)10-7-12-15-14/h8-9,11H,2,7,10,12H2,1H3/b13-8-.
What are the key properties of (2Z)-2-hepta-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene?
(2Z)-2-hepta-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene has a molecular weight of 214.26 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hepta-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene is sourced from PubChem (CID 91692753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).