4-(6-methyl-1,4-dioxaspiro[4.5]decan-6-yl)butan-1-ol

C13H24O3 — CID 13188175

IUPAC4-(6-methyl-1,4-dioxaspiro[4.5]decan-6-yl)butan-1-ol
SMILESCC1(CCCCO)CCCCC12OCCO2
InChIInChI=1S/C13H24O3/c1-12(7-4-5-9-14)6-2-3-8-13(12)15-10-11-16-13/h14H,2-11H2,1H3
InChIKeyZJHNEGFGNRZTPR-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.47
Rot. Bonds4

About 4-(6-methyl-1,4-dioxaspiro[4.5]decan-6-yl)butan-1-ol

4-(6-methyl-1,4-dioxaspiro[4.5]decan-6-yl)butan-1-ol (PubChem CID 13188175) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 4-(6-methyl-1,4-dioxaspiro[4.5]decan-6-yl)butan-1-ol.

Molecular Properties

Compound Name4-(6-methyl-1,4-dioxaspiro[4.5]decan-6-yl)butan-1-ol
PubChem CID13188175
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name4-(6-methyl-1,4-dioxaspiro[4.5]decan-6-yl)butan-1-ol
SMILESCC1(CCCCO)CCCCC12OCCO2
InChIInChI=1S/C13H24O3/c1-12(7-4-5-9-14)6-2-3-8-13(12)15-10-11-16-13/h14H,2-11H2,1H3
InChIKeyZJHNEGFGNRZTPR-UHFFFAOYSA-N
XLogP2.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-1,4-dioxaspiro[4.5]decan-6-yl)butan-1-ol?
The IUPAC name of 4-(6-methyl-1,4-dioxaspiro[4.5]decan-6-yl)butan-1-ol (CID 13188175) is 4-(6-methyl-1,4-dioxaspiro[4.5]decan-6-yl)butan-1-ol.
What is the SMILES notation for 4-(6-methyl-1,4-dioxaspiro[4.5]decan-6-yl)butan-1-ol?
The canonical SMILES for 4-(6-methyl-1,4-dioxaspiro[4.5]decan-6-yl)butan-1-ol is CC1(CCCCO)CCCCC12OCCO2.
What is the InChIKey of 4-(6-methyl-1,4-dioxaspiro[4.5]decan-6-yl)butan-1-ol?
The InChIKey is ZJHNEGFGNRZTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-12(7-4-5-9-14)6-2-3-8-13(12)15-10-11-16-13/h14H,2-11H2,1H3.
What are the key properties of 4-(6-methyl-1,4-dioxaspiro[4.5]decan-6-yl)butan-1-ol?
4-(6-methyl-1,4-dioxaspiro[4.5]decan-6-yl)butan-1-ol has a molecular weight of 228.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-1,4-dioxaspiro[4.5]decan-6-yl)butan-1-ol is sourced from PubChem (CID 13188175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).