1-[(2R)-3-methylbutan-2-yl]oxyadamantane

C15H26O — CID 71229319

IUPAC1-[(2R)-3-methylbutan-2-yl]oxyadamantane
SMILESCC(C)[C@@H](C)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26O/c1-10(2)11(3)16-15-7-12-4-13(8-15)6-14(5-12)9-15/h10-14H,4-9H2,1-3H3/t11-,12?,13?,14?,15?/m1/s1
InChIKeyHNDGJPQUCMMWBY-SHIHICALSA-N
MW222.37 g/mol
LogP4.02
Rot. Bonds3

About 1-[(2R)-3-methylbutan-2-yl]oxyadamantane

1-[(2R)-3-methylbutan-2-yl]oxyadamantane (PubChem CID 71229319) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-[(2R)-3-methylbutan-2-yl]oxyadamantane.

Molecular Properties

Compound Name1-[(2R)-3-methylbutan-2-yl]oxyadamantane
PubChem CID71229319
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-[(2R)-3-methylbutan-2-yl]oxyadamantane
SMILESCC(C)[C@@H](C)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26O/c1-10(2)11(3)16-15-7-12-4-13(8-15)6-14(5-12)9-15/h10-14H,4-9H2,1-3H3/t11-,12?,13?,14?,15?/m1/s1
InChIKeyHNDGJPQUCMMWBY-SHIHICALSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane
CID 126641157
1-[[(2R)-3-methylbutan-2-yl]oxymethyl]adamantane
CID 59584178
1-(1-adamantyloxy)prop-2-en-1-ol
CID 126575826
1-methoxyadamantane
CID 584854
bis(1-adamantyl) 2,4-dimethyl-3-oxopentanedioate
CID 10972269
1-hepta-1,6-dien-4-yloxyadamantane
CID 67157600
3-propan-2-yloxy-1-azatricyclo[3.3.1.13,7]decane
CID 168720655
1-(1-adamantyloxy)ethyl 2-(acetyloxymethyl)prop-2-enoate
CID 58757973
1-adamantyl 2,4-dimethylpent-2-enoate
CID 68531098
sodium;1-adamantyl acetate;hydride
CID 174617949
1-adamantyl 2,2-difluoroacetate
CID 58225853
1-[1-(4-ethenylphenoxy)ethoxy]adamantane
CID 59227044

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-methylbutan-2-yl]oxyadamantane?
The IUPAC name of 1-[(2R)-3-methylbutan-2-yl]oxyadamantane (CID 71229319) is 1-[(2R)-3-methylbutan-2-yl]oxyadamantane.
What is the SMILES notation for 1-[(2R)-3-methylbutan-2-yl]oxyadamantane?
The canonical SMILES for 1-[(2R)-3-methylbutan-2-yl]oxyadamantane is CC(C)[C@@H](C)OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[(2R)-3-methylbutan-2-yl]oxyadamantane?
The InChIKey is HNDGJPQUCMMWBY-SHIHICALSA-N. The full InChI is InChI=1S/C15H26O/c1-10(2)11(3)16-15-7-12-4-13(8-15)6-14(5-12)9-15/h10-14H,4-9H2,1-3H3/t11-,12?,13?,14?,15?/m1/s1.
What are the key properties of 1-[(2R)-3-methylbutan-2-yl]oxyadamantane?
1-[(2R)-3-methylbutan-2-yl]oxyadamantane has a molecular weight of 222.37 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-methylbutan-2-yl]oxyadamantane is sourced from PubChem (CID 71229319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).