1'-ethylspiro[1,3-dioxolane-2,4'-adamantane]

C14H22O2 — CID 58192803

IUPAC1'-ethylspiro[1,3-dioxolane-2,4'-adamantane]
SMILESCCC12CC3CC(C1)C1(OCCO1)C(C3)C2
InChIInChI=1S/C14H22O2/c1-2-13-7-10-5-11(8-13)14(12(6-10)9-13)15-3-4-16-14/h10-12H,2-9H2,1H3
InChIKeyKKBWHFLOWTZLSU-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.97
Rot. Bonds1

About 1'-ethylspiro[1,3-dioxolane-2,4'-adamantane]

1'-ethylspiro[1,3-dioxolane-2,4'-adamantane] (PubChem CID 58192803) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1'-ethylspiro[1,3-dioxolane-2,4'-adamantane].

Molecular Properties

Compound Name1'-ethylspiro[1,3-dioxolane-2,4'-adamantane]
PubChem CID58192803
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1'-ethylspiro[1,3-dioxolane-2,4'-adamantane]
SMILESCCC12CC3CC(C1)C1(OCCO1)C(C3)C2
InChIInChI=1S/C14H22O2/c1-2-13-7-10-5-11(8-13)14(12(6-10)9-13)15-3-4-16-14/h10-12H,2-9H2,1H3
InChIKeyKKBWHFLOWTZLSU-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-ethylspiro[1,3-dioxolane-2,4'-adamantane]?
The IUPAC name of 1'-ethylspiro[1,3-dioxolane-2,4'-adamantane] (CID 58192803) is 1'-ethylspiro[1,3-dioxolane-2,4'-adamantane].
What is the SMILES notation for 1'-ethylspiro[1,3-dioxolane-2,4'-adamantane]?
The canonical SMILES for 1'-ethylspiro[1,3-dioxolane-2,4'-adamantane] is CCC12CC3CC(C1)C1(OCCO1)C(C3)C2.
What is the InChIKey of 1'-ethylspiro[1,3-dioxolane-2,4'-adamantane]?
The InChIKey is KKBWHFLOWTZLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-13-7-10-5-11(8-13)14(12(6-10)9-13)15-3-4-16-14/h10-12H,2-9H2,1H3.
What are the key properties of 1'-ethylspiro[1,3-dioxolane-2,4'-adamantane]?
1'-ethylspiro[1,3-dioxolane-2,4'-adamantane] has a molecular weight of 222.33 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylspiro[1,3-dioxolane-2,4'-adamantane] is sourced from PubChem (CID 58192803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).