1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol

C16H28O2 — CID 113490241

IUPAC1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
SMILESCC(O)(CC1CC1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H28O2/c1-15(17,11-13-5-6-13)14-7-10-18-16(12-14)8-3-2-4-9-16/h13-14,17H,2-12H2,1H3
InChIKeyQMLVVJVZALHYDV-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.67
Rot. Bonds3

About 1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol

1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol (PubChem CID 113490241) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
PubChem CID113490241
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
SMILESCC(O)(CC1CC1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H28O2/c1-15(17,11-13-5-6-13)14-7-10-18-16(12-14)8-3-2-4-9-16/h13-14,17H,2-12H2,1H3
InChIKeyQMLVVJVZALHYDV-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 79909309
2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol
CID 79909298
2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol
CID 79907956
4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol
CID 79908771
2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912868
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-ol
CID 79898847
1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol
CID 79907960
1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79902301
1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79900340
2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol
CID 114865476
1-(6-oxaspiro[4.5]decan-9-yl)-1-piperidin-3-ylethanol
CID 79901238
1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79898549

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol?
The IUPAC name of 1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol (CID 113490241) is 1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol.
What is the SMILES notation for 1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol?
The canonical SMILES for 1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol is CC(O)(CC1CC1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol?
The InChIKey is QMLVVJVZALHYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-15(17,11-13-5-6-13)14-7-10-18-16(12-14)8-3-2-4-9-16/h13-14,17H,2-12H2,1H3.
What are the key properties of 1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol?
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol has a molecular weight of 252.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol is sourced from PubChem (CID 113490241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).