adamantane;1,3-dioxolan-2-one

C13H20O3 — CID 175094584

IUPACadamantane;1,3-dioxolan-2-one
SMILESC1C2CC3CC1CC(C2)C3.O=C1OCCO1
InChIInChI=1S/C10H16.C3H4O3/c1-7-2-9-4-8(1)5-10(3-7)6-9;4-3-5-1-2-6-3/h7-10H,1-6H2;1-2H2
InChIKeyRRBPDUCBVUOXLG-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.99
Rot. Bonds

About adamantane;1,3-dioxolan-2-one

adamantane;1,3-dioxolan-2-one (PubChem CID 175094584) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is adamantane;1,3-dioxolan-2-one.

Molecular Properties

Compound Nameadamantane;1,3-dioxolan-2-one
PubChem CID175094584
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Nameadamantane;1,3-dioxolan-2-one
SMILESC1C2CC3CC1CC(C2)C3.O=C1OCCO1
InChIInChI=1S/C10H16.C3H4O3/c1-7-2-9-4-8(1)5-10(3-7)6-9;4-3-5-1-2-6-3/h7-10H,1-6H2;1-2H2
InChIKeyRRBPDUCBVUOXLG-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of adamantane;1,3-dioxolan-2-one?
The IUPAC name of adamantane;1,3-dioxolan-2-one (CID 175094584) is adamantane;1,3-dioxolan-2-one.
What is the SMILES notation for adamantane;1,3-dioxolan-2-one?
The canonical SMILES for adamantane;1,3-dioxolan-2-one is C1C2CC3CC1CC(C2)C3.O=C1OCCO1.
What is the InChIKey of adamantane;1,3-dioxolan-2-one?
The InChIKey is RRBPDUCBVUOXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C3H4O3/c1-7-2-9-4-8(1)5-10(3-7)6-9;4-3-5-1-2-6-3/h7-10H,1-6H2;1-2H2.
What are the key properties of adamantane;1,3-dioxolan-2-one?
adamantane;1,3-dioxolan-2-one has a molecular weight of 224.30 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;1,3-dioxolan-2-one is sourced from PubChem (CID 175094584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).