2-[5-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-1,3-dioxolane

C17H30O2 — CID 23560962

IUPAC2-[5-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-1,3-dioxolane
SMILESCC1C2CC(CCCCCC3OCCO3)C(C2)C1C
InChIInChI=1S/C17H30O2/c1-12-13(2)16-11-15(12)10-14(16)6-4-3-5-7-17-18-8-9-19-17/h12-17H,3-11H2,1-2H3
InChIKeyAPCFEAKNJCYGIX-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.24
Rot. Bonds6

About 2-[5-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-1,3-dioxolane

2-[5-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-1,3-dioxolane (PubChem CID 23560962) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-[5-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[5-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-1,3-dioxolane
PubChem CID23560962
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-[5-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-1,3-dioxolane
SMILESCC1C2CC(CCCCCC3OCCO3)C(C2)C1C
InChIInChI=1S/C17H30O2/c1-12-13(2)16-11-15(12)10-14(16)6-4-3-5-7-17-18-8-9-19-17/h12-17H,3-11H2,1-2H3
InChIKeyAPCFEAKNJCYGIX-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.24
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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-1,3-dioxolane?
The IUPAC name of 2-[5-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-1,3-dioxolane (CID 23560962) is 2-[5-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-1,3-dioxolane.
What is the SMILES notation for 2-[5-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-1,3-dioxolane?
The canonical SMILES for 2-[5-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-1,3-dioxolane is CC1C2CC(CCCCCC3OCCO3)C(C2)C1C.
What is the InChIKey of 2-[5-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-1,3-dioxolane?
The InChIKey is APCFEAKNJCYGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-12-13(2)16-11-15(12)10-14(16)6-4-3-5-7-17-18-8-9-19-17/h12-17H,3-11H2,1-2H3.
What are the key properties of 2-[5-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-1,3-dioxolane?
2-[5-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-1,3-dioxolane has a molecular weight of 266.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-1,3-dioxolane is sourced from PubChem (CID 23560962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).