2-hexyl-2-oct-7-ynyl-1,3-dioxolane

C17H30O2 — CID 71517735

IUPAC2-hexyl-2-oct-7-ynyl-1,3-dioxolane
SMILESC#CCCCCCCC1(CCCCCC)OCCO1
InChIInChI=1S/C17H30O2/c1-3-5-7-9-10-12-14-17(18-15-16-19-17)13-11-8-6-4-2/h1H,4-16H2,2H3
InChIKeyXOJFSBQSZJZWQY-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.67
Rot. Bonds11

About 2-hexyl-2-oct-7-ynyl-1,3-dioxolane

2-hexyl-2-oct-7-ynyl-1,3-dioxolane (PubChem CID 71517735) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-hexyl-2-oct-7-ynyl-1,3-dioxolane.

Molecular Properties

Compound Name2-hexyl-2-oct-7-ynyl-1,3-dioxolane
PubChem CID71517735
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-hexyl-2-oct-7-ynyl-1,3-dioxolane
SMILESC#CCCCCCCC1(CCCCCC)OCCO1
InChIInChI=1S/C17H30O2/c1-3-5-7-9-10-12-14-17(18-15-16-19-17)13-11-8-6-4-2/h1H,4-16H2,2H3
InChIKeyXOJFSBQSZJZWQY-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.67
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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Related Compounds

2-heptyl-2-oct-7-ynyl-1,3-dioxolane
CID 57412166
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
9-(2-hexyl-1,3-dioxolan-2-yl)non-4-yn-1-ol
CID 134971552
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol
CID 10359175
oct-1-yne
CID 19597608
2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
CID 72578433
CID 172706336
CID 172706336
2-heptyl-2-propyl-1,3-dioxane
CID 89440265

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-2-oct-7-ynyl-1,3-dioxolane?
The IUPAC name of 2-hexyl-2-oct-7-ynyl-1,3-dioxolane (CID 71517735) is 2-hexyl-2-oct-7-ynyl-1,3-dioxolane.
What is the SMILES notation for 2-hexyl-2-oct-7-ynyl-1,3-dioxolane?
The canonical SMILES for 2-hexyl-2-oct-7-ynyl-1,3-dioxolane is C#CCCCCCCC1(CCCCCC)OCCO1.
What is the InChIKey of 2-hexyl-2-oct-7-ynyl-1,3-dioxolane?
The InChIKey is XOJFSBQSZJZWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-3-5-7-9-10-12-14-17(18-15-16-19-17)13-11-8-6-4-2/h1H,4-16H2,2H3.
What are the key properties of 2-hexyl-2-oct-7-ynyl-1,3-dioxolane?
2-hexyl-2-oct-7-ynyl-1,3-dioxolane has a molecular weight of 266.42 g/mol, XLogP of 4.67, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-2-oct-7-ynyl-1,3-dioxolane is sourced from PubChem (CID 71517735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).