6,6-dimethyl-1,4-dioxaspiro[4.5]decan-9-ol

C10H18O3 — CID 130127409

IUPAC6,6-dimethyl-1,4-dioxaspiro[4.5]decan-9-ol
SMILESCC1(C)CCC(O)CC12OCCO2
InChIInChI=1S/C10H18O3/c1-9(2)4-3-8(11)7-10(9)12-5-6-13-10/h8,11H,3-7H2,1-2H3
InChIKeyDDUNYRYENZMQQK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.30
Rot. Bonds

About 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-9-ol

6,6-dimethyl-1,4-dioxaspiro[4.5]decan-9-ol (PubChem CID 130127409) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-9-ol.

Molecular Properties

Compound Name6,6-dimethyl-1,4-dioxaspiro[4.5]decan-9-ol
PubChem CID130127409
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name6,6-dimethyl-1,4-dioxaspiro[4.5]decan-9-ol
SMILESCC1(C)CCC(O)CC12OCCO2
InChIInChI=1S/C10H18O3/c1-9(2)4-3-8(11)7-10(9)12-5-6-13-10/h8,11H,3-7H2,1-2H3
InChIKeyDDUNYRYENZMQQK-UHFFFAOYSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-9-ol?
The IUPAC name of 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-9-ol (CID 130127409) is 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-9-ol.
What is the SMILES notation for 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-9-ol?
The canonical SMILES for 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-9-ol is CC1(C)CCC(O)CC12OCCO2.
What is the InChIKey of 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-9-ol?
The InChIKey is DDUNYRYENZMQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2)4-3-8(11)7-10(9)12-5-6-13-10/h8,11H,3-7H2,1-2H3.
What are the key properties of 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-9-ol?
6,6-dimethyl-1,4-dioxaspiro[4.5]decan-9-ol has a molecular weight of 186.25 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-9-ol is sourced from PubChem (CID 130127409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).