8,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane

C14H26O2 — CID 58233689

IUPAC8,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESCC(C)C1(C(C)C)CCC2(CC1)OCCO2
InChIInChI=1S/C14H26O2/c1-11(2)13(12(3)4)5-7-14(8-6-13)15-9-10-16-14/h11-12H,5-10H2,1-4H3
InChIKeyHGUWYDVPYOIJAA-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.60
Rot. Bonds2

About 8,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane

8,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane (PubChem CID 58233689) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 8,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane
PubChem CID58233689
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name8,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESCC(C)C1(C(C)C)CCC2(CC1)OCCO2
InChIInChI=1S/C14H26O2/c1-11(2)13(12(3)4)5-7-14(8-6-13)15-9-10-16-14/h11-12H,5-10H2,1-4H3
InChIKeyHGUWYDVPYOIJAA-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(1,1-Dimethylethyl)-1,4-dioxaspiro(4.5)decane
CID 56841677
1,4-Dioxaspiro[4.5]decane, 8-(1,1-dimethylethyl)-
CID 75208
1,4-Dioxaspiro(4.5)decane, 8-(1,1-dimethylethyl)-2-methyl-
CID 112488
4-Tert-butyl-1,1-dimethoxycyclohexane
CID 10921547
8-(1,1-Dimethylethyl)-2,3-dimethyl-1,4-dioxaspiro[4.5]decane
CID 6454394
2-Chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro(4.5)decan
CID 14326294
8-Methyl-1,4-dioxaspiro[4.5]decane
CID 10953772
9-Methyl-6-(propan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 13113306
1-Tert-butyl-4-(methoxymethoxy)cyclohexane
CID 13267523
9-(1,1-Dimethylethyl)-1,5-dioxaspiro[5.5]undecane
CID 881142
4-tert-Butylcyclohexanone diethyl acetal
CID 137253
1,4-Dioxaspiro[4.5]decane, 7,7,9-trimethyl-
CID 102527

Frequently Asked Questions

What is the IUPAC name of 8,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane (CID 58233689) is 8,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane is CC(C)C1(C(C)C)CCC2(CC1)OCCO2.
What is the InChIKey of 8,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is HGUWYDVPYOIJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-11(2)13(12(3)4)5-7-14(8-6-13)15-9-10-16-14/h11-12H,5-10H2,1-4H3.
What are the key properties of 8,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane?
8,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 226.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 58233689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).