(2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene

C14H14O2 — CID 10846300

IUPAC(2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene
SMILESCC#CC#C/C=C1\C=C[C@@]2(CCCCO2)O1
InChIInChI=1S/C14H14O2/c1-2-3-4-5-8-13-9-11-14(16-13)10-6-7-12-15-14/h8-9,11H,6-7,10,12H2,1H3/b13-8+/t14-/m1/s1
InChIKeyRNEORCMLRJNFGE-MAUPQMMJSA-N
MW214.26 g/mol
LogP2.38
Rot. Bonds

About (2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene

(2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene (PubChem CID 10846300) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name(2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene
PubChem CID10846300
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name(2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene
SMILESCC#CC#C/C=C1\C=C[C@@]2(CCCCO2)O1
InChIInChI=1S/C14H14O2/c1-2-3-4-5-8-13-9-11-14(16-13)10-6-7-12-15-14/h8-9,11H,6-7,10,12H2,1H3/b13-8+/t14-/m1/s1
InChIKeyRNEORCMLRJNFGE-MAUPQMMJSA-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 (2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene?
The IUPAC name of (2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene (CID 10846300) is (2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene.
What is the SMILES notation for (2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene?
The canonical SMILES for (2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene is CC#CC#C/C=C1\C=C[C@@]2(CCCCO2)O1.
What is the InChIKey of (2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene?
The InChIKey is RNEORCMLRJNFGE-MAUPQMMJSA-N. The full InChI is InChI=1S/C14H14O2/c1-2-3-4-5-8-13-9-11-14(16-13)10-6-7-12-15-14/h8-9,11H,6-7,10,12H2,1H3/b13-8+/t14-/m1/s1.
What are the key properties of (2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene?
(2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-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 (2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene is sourced from PubChem (CID 10846300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).