1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol

C16H28O3 — CID 103459246

IUPAC1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol
SMILESOC(C1CCCCC1)C(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H28O3/c17-14(12-5-2-1-3-6-12)15(18)13-7-10-19-16(11-13)8-4-9-16/h12-15,17-18H,1-11H2
InChIKeyOJFCDYGTRGEEDP-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.64
Rot. Bonds3

About 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol

1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol (PubChem CID 103459246) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol
PubChem CID103459246
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol
SMILESOC(C1CCCCC1)C(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H28O3/c17-14(12-5-2-1-3-6-12)15(18)13-7-10-19-16(11-13)8-4-9-16/h12-15,17-18H,1-11H2
InChIKeyOJFCDYGTRGEEDP-UHFFFAOYSA-N
XLogP2.64
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899192
2-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 115819806
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
CID 103454715
3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312575
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79913146
5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol
CID 79913378
(1-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106830968
2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79921916

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol?
The IUPAC name of 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol (CID 103459246) is 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol.
What is the SMILES notation for 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol?
The canonical SMILES for 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol is OC(C1CCCCC1)C(O)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol?
The InChIKey is OJFCDYGTRGEEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c17-14(12-5-2-1-3-6-12)15(18)13-7-10-19-16(11-13)8-4-9-16/h12-15,17-18H,1-11H2.
What are the key properties of 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol?
1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol has a molecular weight of 268.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol is sourced from PubChem (CID 103459246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).