carbon dioxide;2-propan-2-ylspiro[3.3]heptan-2-ol

C11H18O3 — CID 157101626

IUPACcarbon dioxide;2-propan-2-ylspiro[3.3]heptan-2-ol
SMILESCC(C)C1(O)CC2(CCC2)C1.O=C=O
InChIInChI=1S/C10H18O.CO2/c1-8(2)10(11)6-9(7-10)4-3-5-9;2-1-3/h8,11H,3-7H2,1-2H3;
InChIKeyAFVDRQBJTJJZTE-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.75
Rot. Bonds1

About carbon dioxide;2-propan-2-ylspiro[3.3]heptan-2-ol

carbon dioxide;2-propan-2-ylspiro[3.3]heptan-2-ol (PubChem CID 157101626) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is carbon dioxide;2-propan-2-ylspiro[3.3]heptan-2-ol.

Molecular Properties

Compound Namecarbon dioxide;2-propan-2-ylspiro[3.3]heptan-2-ol
PubChem CID157101626
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namecarbon dioxide;2-propan-2-ylspiro[3.3]heptan-2-ol
SMILESCC(C)C1(O)CC2(CCC2)C1.O=C=O
InChIInChI=1S/C10H18O.CO2/c1-8(2)10(11)6-9(7-10)4-3-5-9;2-1-3/h8,11H,3-7H2,1-2H3;
InChIKeyAFVDRQBJTJJZTE-UHFFFAOYSA-N
XLogP1.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-propan-2-yl-2-azaspiro[3.3]heptan-6-ol
CID 134410201
dipropan-2-yl spiro[3.3]heptane-2,2-dicarboxylate
CID 90403911
2-methylpropanoic acid;1-propan-2-ylcyclohexan-1-ol
CID 174748653
methanol;spiro[3.3]heptane
CID 170155109
2-aminospiro[3.3]heptane-2-carboxamide
CID 59814889
3-amino-2-(1-hydroxycyclobutyl)butanamide
CID 91827576
7-propan-2-yl-2-thiaspiro[3.5]nonan-7-ol
CID 159986096
7-methyl-7-propan-2-ylspiro[3.5]nonane
CID 142824876
1-oxo-3-propan-2-ylthietan-3-ol
CID 171608254
4-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carbonitrile
CID 159986095
1-(3,3-dimethylbut-1-ynyl)cyclobutan-1-ol;2-(3,3-dimethylbut-1-ynyl)spiro[3.3]heptan-2-ol
CID 158679716
2-(1-hydroxy-3,3-dimethylcyclohexyl)propanenitrile
CID 79132289

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-propan-2-ylspiro[3.3]heptan-2-ol?
The IUPAC name of carbon dioxide;2-propan-2-ylspiro[3.3]heptan-2-ol (CID 157101626) is carbon dioxide;2-propan-2-ylspiro[3.3]heptan-2-ol.
What is the SMILES notation for carbon dioxide;2-propan-2-ylspiro[3.3]heptan-2-ol?
The canonical SMILES for carbon dioxide;2-propan-2-ylspiro[3.3]heptan-2-ol is CC(C)C1(O)CC2(CCC2)C1.O=C=O.
What is the InChIKey of carbon dioxide;2-propan-2-ylspiro[3.3]heptan-2-ol?
The InChIKey is AFVDRQBJTJJZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.CO2/c1-8(2)10(11)6-9(7-10)4-3-5-9;2-1-3/h8,11H,3-7H2,1-2H3;.
What are the key properties of carbon dioxide;2-propan-2-ylspiro[3.3]heptan-2-ol?
carbon dioxide;2-propan-2-ylspiro[3.3]heptan-2-ol has a molecular weight of 198.26 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2-propan-2-ylspiro[3.3]heptan-2-ol is sourced from PubChem (CID 157101626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).