3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one

C14H24O2 — CID 79894030

IUPAC3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one
SMILESCC(C)(C)C(=O)CC1CCOC2(CCC2)C1
InChIInChI=1S/C14H24O2/c1-13(2,3)12(15)9-11-5-8-16-14(10-11)6-4-7-14/h11H,4-10H2,1-3H3
InChIKeyLNXWYXQXKOVLRU-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.34
Rot. Bonds2

About 3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one

3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one (PubChem CID 79894030) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one
PubChem CID79894030
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one
SMILESCC(C)(C)C(=O)CC1CCOC2(CCC2)C1
InChIInChI=1S/C14H24O2/c1-13(2,3)12(15)9-11-5-8-16-14(10-11)6-4-7-14/h11H,4-10H2,1-3H3
InChIKeyLNXWYXQXKOVLRU-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79894570
4-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79923955
2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde
CID 79920668
2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 79899396
N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine
CID 79914759
2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone
CID 79894255
2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde
CID 79920475
2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone
CID 79894178
2-(9-acetyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetic acid
CID 90488086
2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
2-amino-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116560117

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one?
The IUPAC name of 3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one (CID 79894030) is 3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one?
The canonical SMILES for 3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one is CC(C)(C)C(=O)CC1CCOC2(CCC2)C1.
What is the InChIKey of 3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one?
The InChIKey is LNXWYXQXKOVLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-13(2,3)12(15)9-11-5-8-16-14(10-11)6-4-7-14/h11H,4-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one?
3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one has a molecular weight of 224.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one is sourced from PubChem (CID 79894030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).