ethane;2-heptyl-2-propyl-1,3-dioxolane

C15H32O2 — CID 144819660

IUPACethane;2-heptyl-2-propyl-1,3-dioxolane
SMILESCC.CCCCCCCC1(CCC)OCCO1
InChIInChI=1S/C13H26O2.C2H6/c1-3-5-6-7-8-10-13(9-4-2)14-11-12-15-13;1-2/h3-12H2,1-2H3;1-2H3
InChIKeyQHOLAZZEJDTMFC-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.92
Rot. Bonds8

About ethane;2-heptyl-2-propyl-1,3-dioxolane

ethane;2-heptyl-2-propyl-1,3-dioxolane (PubChem CID 144819660) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is ethane;2-heptyl-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Nameethane;2-heptyl-2-propyl-1,3-dioxolane
PubChem CID144819660
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Nameethane;2-heptyl-2-propyl-1,3-dioxolane
SMILESCC.CCCCCCCC1(CCC)OCCO1
InChIInChI=1S/C13H26O2.C2H6/c1-3-5-6-7-8-10-13(9-4-2)14-11-12-15-13;1-2/h3-12H2,1-2H3;1-2H3
InChIKeyQHOLAZZEJDTMFC-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
2-heptyl-2-propyl-1,3-dioxane
CID 89440265
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
2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
CID 72578433
2-heptyl-2-oct-7-ynyl-1,3-dioxolane
CID 57412166
2-hexyl-2-oct-7-ynyl-1,3-dioxolane
CID 71517735
12-(2-nonyl-1,3-dioxolan-2-yl)dodecanoic acid
CID 123235392
1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one
CID 21301805
9-(2-hexyl-1,3-dioxolan-2-yl)non-4-yn-1-ol
CID 134971552

Frequently Asked Questions

What is the IUPAC name of ethane;2-heptyl-2-propyl-1,3-dioxolane?
The IUPAC name of ethane;2-heptyl-2-propyl-1,3-dioxolane (CID 144819660) is ethane;2-heptyl-2-propyl-1,3-dioxolane.
What is the SMILES notation for ethane;2-heptyl-2-propyl-1,3-dioxolane?
The canonical SMILES for ethane;2-heptyl-2-propyl-1,3-dioxolane is CC.CCCCCCCC1(CCC)OCCO1.
What is the InChIKey of ethane;2-heptyl-2-propyl-1,3-dioxolane?
The InChIKey is QHOLAZZEJDTMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2.C2H6/c1-3-5-6-7-8-10-13(9-4-2)14-11-12-15-13;1-2/h3-12H2,1-2H3;1-2H3.
What are the key properties of ethane;2-heptyl-2-propyl-1,3-dioxolane?
ethane;2-heptyl-2-propyl-1,3-dioxolane has a molecular weight of 244.42 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-heptyl-2-propyl-1,3-dioxolane is sourced from PubChem (CID 144819660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).