1'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]

C14H22O3 — CID 70935496

IUPAC1'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]
SMILESCOCC12CC3CC(C1)C1(OCCO1)C(C3)C2
InChIInChI=1S/C14H22O3/c1-15-9-13-6-10-4-11(7-13)14(12(5-10)8-13)16-2-3-17-14/h10-12H,2-9H2,1H3
InChIKeyAVDXAWSMUFSAJT-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.20
Rot. Bonds2

About 1'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]

1'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane] (PubChem CID 70935496) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane].

Molecular Properties

Compound Name1'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]
PubChem CID70935496
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]
SMILESCOCC12CC3CC(C1)C1(OCCO1)C(C3)C2
InChIInChI=1S/C14H22O3/c1-15-9-13-6-10-4-11(7-13)14(12(5-10)8-13)16-2-3-17-14/h10-12H,2-9H2,1H3
InChIKeyAVDXAWSMUFSAJT-UHFFFAOYSA-N
XLogP2.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]?
The IUPAC name of 1'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane] (CID 70935496) is 1'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane].
What is the SMILES notation for 1'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]?
The canonical SMILES for 1'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane] is COCC12CC3CC(C1)C1(OCCO1)C(C3)C2.
What is the InChIKey of 1'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]?
The InChIKey is AVDXAWSMUFSAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-15-9-13-6-10-4-11(7-13)14(12(5-10)8-13)16-2-3-17-14/h10-12H,2-9H2,1H3.
What are the key properties of 1'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]?
1'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane] has a molecular weight of 238.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane] is sourced from PubChem (CID 70935496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).