2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane

C14H26O5 — CID 19096529

IUPAC2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CC1(C)CCCCC1(O)O
InChIInChI=1S/C8H16O2.C6H10O3/c1-7(2)5-3-4-6-8(7,9)10;1(5-3-8-5)7-2-6-4-9-6/h9-10H,3-6H2,1-2H3;5-6H,1-4H2
InChIKeySYAPQADVYHJQLN-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.07
Rot. Bonds4

About 2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane

2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 19096529) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID19096529
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CC1(C)CCCCC1(O)O
InChIInChI=1S/C8H16O2.C6H10O3/c1-7(2)5-3-4-6-8(7,9)10;1(5-3-8-5)7-2-6-4-9-6/h9-10H,3-6H2,1-2H3;5-6H,1-4H2
InChIKeySYAPQADVYHJQLN-UHFFFAOYSA-N
XLogP1.07
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 19096529) is 2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.CC1(C)CCCCC1(O)O.
What is the InChIKey of 2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is SYAPQADVYHJQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C6H10O3/c1-7(2)5-3-4-6-8(7,9)10;1(5-3-8-5)7-2-6-4-9-6/h9-10H,3-6H2,1-2H3;5-6H,1-4H2.
What are the key properties of 2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 274.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 19096529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).