2-hept-6-ynyl-1,3-dioxolane

C10H16O2 — CID 552083

IUPAC2-hept-6-ynyl-1,3-dioxolane
SMILESC#CCCCCCC1OCCO1
InChIInChI=1S/C10H16O2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h1,10H,3-9H2
InChIKeyWVBSSCMKXLECHD-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.94
Rot. Bonds5

About 2-hept-6-ynyl-1,3-dioxolane

2-hept-6-ynyl-1,3-dioxolane (PubChem CID 552083) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-hept-6-ynyl-1,3-dioxolane.

Molecular Properties

Compound Name2-hept-6-ynyl-1,3-dioxolane
PubChem CID552083
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-hept-6-ynyl-1,3-dioxolane
SMILESC#CCCCCCC1OCCO1
InChIInChI=1S/C10H16O2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h1,10H,3-9H2
InChIKeyWVBSSCMKXLECHD-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hept-6-ynyl-1,3-dioxolane?
The IUPAC name of 2-hept-6-ynyl-1,3-dioxolane (CID 552083) is 2-hept-6-ynyl-1,3-dioxolane.
What is the SMILES notation for 2-hept-6-ynyl-1,3-dioxolane?
The canonical SMILES for 2-hept-6-ynyl-1,3-dioxolane is C#CCCCCCC1OCCO1.
What is the InChIKey of 2-hept-6-ynyl-1,3-dioxolane?
The InChIKey is WVBSSCMKXLECHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h1,10H,3-9H2.
What are the key properties of 2-hept-6-ynyl-1,3-dioxolane?
2-hept-6-ynyl-1,3-dioxolane has a molecular weight of 168.24 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-6-ynyl-1,3-dioxolane is sourced from PubChem (CID 552083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).