2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol

C16H30O2 — CID 79913855

IUPAC2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol
SMILESCCCC(C)C(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H30O2/c1-3-7-13(2)15(17)14-8-11-18-16(12-14)9-5-4-6-10-16/h13-15,17H,3-12H2,1-2H3
InChIKeyUIRRZXZCZAPZNK-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.91
Rot. Bonds4

About 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol

2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol (PubChem CID 79913855) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol
PubChem CID79913855
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol
SMILESCCCC(C)C(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H30O2/c1-3-7-13(2)15(17)14-8-11-18-16(12-14)9-5-4-6-10-16/h13-15,17H,3-12H2,1-2H3
InChIKeyUIRRZXZCZAPZNK-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 116502606
1-(6-oxaspiro[4.5]decan-9-yl)hexan-1-ol
CID 79912927
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-ol
CID 79913392
1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
CID 103454715
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine
CID 105016151
2-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 115819806
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol
CID 103459246
2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol
CID 116711129
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 116718593

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol?
The IUPAC name of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol (CID 79913855) is 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol.
What is the SMILES notation for 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol?
The canonical SMILES for 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol is CCCC(C)C(O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol?
The InChIKey is UIRRZXZCZAPZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-7-13(2)15(17)14-8-11-18-16(12-14)9-5-4-6-10-16/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol?
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol has a molecular weight of 254.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol is sourced from PubChem (CID 79913855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).