8-but-3-ynyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene

C13H18O2 — CID 71370015

IUPAC8-but-3-ynyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC#CCCC1=C(C)CC2(CC1)OCCO2
InChIInChI=1S/C13H18O2/c1-3-4-5-12-6-7-13(10-11(12)2)14-8-9-15-13/h1H,4-10H2,2H3
InChIKeyHXUXHWSKDWDKBH-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.64
Rot. Bonds2

About 8-but-3-ynyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene

8-but-3-ynyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 71370015) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 8-but-3-ynyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-but-3-ynyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID71370015
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name8-but-3-ynyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC#CCCC1=C(C)CC2(CC1)OCCO2
InChIInChI=1S/C13H18O2/c1-3-4-5-12-6-7-13(10-11(12)2)14-8-9-15-13/h1H,4-10H2,2H3
InChIKeyHXUXHWSKDWDKBH-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-Ethynyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 102391662
5-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol
CID 10585134
7,8-Dimethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 58626947
8-Ethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 88992933
8-Ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 123780950
Ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 144926160
8-Propyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 144973126
7-Methyl-8-propyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 177018399
2-(7-Methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol
CID 10442720
7-Ethynyl-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 10943654
2-[2-(Cyclohex-1-en-1-yl)ethyl]-2-methyl-1,3-dioxolane
CID 12339704
8-(3-Methylbut-2-en-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 13213609

Frequently Asked Questions

What is the IUPAC name of 8-but-3-ynyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-but-3-ynyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 71370015) is 8-but-3-ynyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-but-3-ynyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-but-3-ynyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene is C#CCCC1=C(C)CC2(CC1)OCCO2.
What is the InChIKey of 8-but-3-ynyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is HXUXHWSKDWDKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-4-5-12-6-7-13(10-11(12)2)14-8-9-15-13/h1H,4-10H2,2H3.
What are the key properties of 8-but-3-ynyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
8-but-3-ynyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 206.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-but-3-ynyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 71370015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).