1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-ol

C14H26O4 — CID 103027639

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H26O4/c1-13(2,16-3)9-12(15)11-4-6-18-14(8-11)5-7-17-10-14/h11-12,15H,4-10H2,1-3H3
InChIKeyNXRISDTVSFNILH-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.75
Rot. Bonds4

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-ol

1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-ol (PubChem CID 103027639) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-ol
PubChem CID103027639
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H26O4/c1-13(2,16-3)9-12(15)11-4-6-18-14(8-11)5-7-17-10-14/h11-12,15H,4-10H2,1-3H3
InChIKeyNXRISDTVSFNILH-UHFFFAOYSA-N
XLogP1.75
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-ol (CID 103027639) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-ol is COC(C)(C)CC(O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-ol?
The InChIKey is NXRISDTVSFNILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-13(2,16-3)9-12(15)11-4-6-18-14(8-11)5-7-17-10-14/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-ol?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 103027639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).