3,3-di(propan-2-yl)-1,6-dioxaspiro[3.3]heptane

C11H20O2 — CID 59161513

IUPAC3,3-di(propan-2-yl)-1,6-dioxaspiro[3.3]heptane
SMILESCC(C)C1(C(C)C)COC12COC2
InChIInChI=1S/C11H20O2/c1-8(2)11(9(3)4)7-13-10(11)5-12-6-10/h8-9H,5-7H2,1-4H3
InChIKeyCCTLZECNXBQQIK-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.08
Rot. Bonds2

About 3,3-di(propan-2-yl)-1,6-dioxaspiro[3.3]heptane

3,3-di(propan-2-yl)-1,6-dioxaspiro[3.3]heptane (PubChem CID 59161513) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3,3-di(propan-2-yl)-1,6-dioxaspiro[3.3]heptane.

Molecular Properties

Compound Name3,3-di(propan-2-yl)-1,6-dioxaspiro[3.3]heptane
PubChem CID59161513
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3,3-di(propan-2-yl)-1,6-dioxaspiro[3.3]heptane
SMILESCC(C)C1(C(C)C)COC12COC2
InChIInChI=1S/C11H20O2/c1-8(2)11(9(3)4)7-13-10(11)5-12-6-10/h8-9H,5-7H2,1-4H3
InChIKeyCCTLZECNXBQQIK-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-di(propan-2-yl)-1,6-dioxaspiro[3.3]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(3-ethyloxetanylmethyl) ether
CID 68654288
3-[1-Butoxy-2-(oxetan-3-yl)butan-2-yl]oxetane
CID 67061092
3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxetane
CID 68167169
3-[3,3-Dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxetane
CID 68167182
3-Methyl-3-propan-2-yl-1,6-dioxaspiro[3.3]heptane
CID 68366183
3-Ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane
CID 68649136
2,3-Dimethyl-2-(3-methyloxetan-2-yl)oxetane
CID 91438203
2-Ethyl-2-[(2-ethyloxetan-2-yl)methoxymethyl]oxetane
CID 102418422
(2S)-3-ethyl-2-[[(2S)-3-ethyloxetan-2-yl]methoxymethyl]oxetane
CID 117876176
2-[2-[2-(Oxetan-2-yl)propan-2-yloxy]propan-2-yl]oxetane
CID 129137149
3-(3-Tert-butylcyclobutyl)oxyoxetane
CID 153289712
2-Ethyl-3-[(3-ethyloxetan-2-yl)methoxymethyl]oxetane
CID 153997034

Frequently Asked Questions

What is the IUPAC name of 3,3-di(propan-2-yl)-1,6-dioxaspiro[3.3]heptane?
The IUPAC name of 3,3-di(propan-2-yl)-1,6-dioxaspiro[3.3]heptane (CID 59161513) is 3,3-di(propan-2-yl)-1,6-dioxaspiro[3.3]heptane.
What is the SMILES notation for 3,3-di(propan-2-yl)-1,6-dioxaspiro[3.3]heptane?
The canonical SMILES for 3,3-di(propan-2-yl)-1,6-dioxaspiro[3.3]heptane is CC(C)C1(C(C)C)COC12COC2.
What is the InChIKey of 3,3-di(propan-2-yl)-1,6-dioxaspiro[3.3]heptane?
The InChIKey is CCTLZECNXBQQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)11(9(3)4)7-13-10(11)5-12-6-10/h8-9H,5-7H2,1-4H3.
What are the key properties of 3,3-di(propan-2-yl)-1,6-dioxaspiro[3.3]heptane?
3,3-di(propan-2-yl)-1,6-dioxaspiro[3.3]heptane has a molecular weight of 184.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(propan-2-yl)-1,6-dioxaspiro[3.3]heptane is sourced from PubChem (CID 59161513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).