1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane]

C16H26O2 — CID 13075074

IUPAC1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane]
SMILESCC(C)(C)C12CC3CC(C1)C1(OCCO1)C(C3)C2
InChIInChI=1S/C16H26O2/c1-14(2,3)15-8-11-6-12(9-15)16(13(7-11)10-15)17-4-5-18-16/h11-13H,4-10H2,1-3H3
InChIKeyRDZXKRYKQYFLCY-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.60
Rot. Bonds

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

1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane] (PubChem CID 13075074) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane].

Molecular Properties

Compound Name1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane]
PubChem CID13075074
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane]
SMILESCC(C)(C)C12CC3CC(C1)C1(OCCO1)C(C3)C2
InChIInChI=1S/C16H26O2/c1-14(2,3)15-8-11-6-12(9-15)16(13(7-11)10-15)17-4-5-18-16/h11-13H,4-10H2,1-3H3
InChIKeyRDZXKRYKQYFLCY-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-fluorospiro[1,3-dioxolane-2,4'-adamantane]
CID 91619929
spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2,2-difluoropropanoate
CID 58108095
1'-(2,2-difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]
CID 58108119
acetic acid;1-tert-butyladamantane
CID 66772325
methyl (3'S,5'S)-spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate
CID 75365645
5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane
CID 170386418
CID 102129804
CID 102129804
2,2-difluoropropyl spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate
CID 121401572
[5-methyl-5-(trifluoromethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate
CID 71233893
2-(1-adamantyl)butan-2-ylphosphane
CID 166806637
CID 98126640
CID 98126640
2',5'-Dibromo-1',2',3',3'a,4',5',6'a-octahydrodispiro[(1,3)-dioxolane-2,3'-pentalene-6',2''-(1,3)-dioxolane]
CID 4074565

Frequently Asked Questions

What is the IUPAC name of 1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane]?
The IUPAC name of 1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane] (CID 13075074) is 1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane].
What is the SMILES notation for 1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane]?
The canonical SMILES for 1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane] is CC(C)(C)C12CC3CC(C1)C1(OCCO1)C(C3)C2.
What is the InChIKey of 1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane]?
The InChIKey is RDZXKRYKQYFLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-14(2,3)15-8-11-6-12(9-15)16(13(7-11)10-15)17-4-5-18-16/h11-13H,4-10H2,1-3H3.
What are the key properties of 1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane]?
1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane] has a molecular weight of 250.38 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane] is sourced from PubChem (CID 13075074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).