(7-methyl-3-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol

C13H24O3 — CID 69471532

IUPAC(7-methyl-3-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol
SMILESCC1CCCC2(C1)OCC(CO)(C(C)C)O2
InChIInChI=1S/C13H24O3/c1-10(2)12(8-14)9-15-13(16-12)6-4-5-11(3)7-13/h10-11,14H,4-9H2,1-3H3
InChIKeyOLSLLIKGQVDGCM-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.33
Rot. Bonds2

About (7-methyl-3-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol

(7-methyl-3-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol (PubChem CID 69471532) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (7-methyl-3-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol.

Molecular Properties

Compound Name(7-methyl-3-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol
PubChem CID69471532
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(7-methyl-3-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol
SMILESCC1CCCC2(C1)OCC(CO)(C(C)C)O2
InChIInChI=1S/C13H24O3/c1-10(2)12(8-14)9-15-13(16-12)6-4-5-11(3)7-13/h10-11,14H,4-9H2,1-3H3
InChIKeyOLSLLIKGQVDGCM-UHFFFAOYSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-3-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol?
The IUPAC name of (7-methyl-3-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol (CID 69471532) is (7-methyl-3-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol.
What is the SMILES notation for (7-methyl-3-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol?
The canonical SMILES for (7-methyl-3-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol is CC1CCCC2(C1)OCC(CO)(C(C)C)O2.
What is the InChIKey of (7-methyl-3-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol?
The InChIKey is OLSLLIKGQVDGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-10(2)12(8-14)9-15-13(16-12)6-4-5-11(3)7-13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of (7-methyl-3-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol?
(7-methyl-3-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol has a molecular weight of 228.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-3-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol is sourced from PubChem (CID 69471532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).