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

C14H26O2 — CID 79901248

IUPAC2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
SMILESCC(C)C(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H26O2/c1-11(2)13(15)12-6-9-16-14(10-12)7-4-3-5-8-14/h11-13,15H,3-10H2,1-2H3
InChIKeyHLEBFZNMKMTSTD-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.13
Rot. Bonds2

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

2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol (PubChem CID 79901248) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
PubChem CID79901248
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
SMILESCC(C)C(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H26O2/c1-11(2)13(15)12-6-9-16-14(10-12)7-4-3-5-8-14/h11-13,15H,3-10H2,1-2H3
InChIKeyHLEBFZNMKMTSTD-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol
CID 79913855
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
(1-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106830968
2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
CID 79901459
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79893658
2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446
1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
CID 103454715
2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79921916
cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899192

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol?
The IUPAC name of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol (CID 79901248) is 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol?
The canonical SMILES for 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol is CC(C)C(O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol?
The InChIKey is HLEBFZNMKMTSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-11(2)13(15)12-6-9-16-14(10-12)7-4-3-5-8-14/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol?
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 3.13, 2 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)propan-1-ol is sourced from PubChem (CID 79901248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).