1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol

C16H28O4 — CID 103451663

IUPAC1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol
SMILESOC(C1CCOC2(CCOCC2)C1)C1(O)CCCCC1
InChIInChI=1S/C16H28O4/c17-14(16(18)5-2-1-3-6-16)13-4-9-20-15(12-13)7-10-19-11-8-15/h13-14,17-18H,1-12H2
InChIKeyHGIRFHDKVZKKMF-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.02
Rot. Bonds2

About 1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol

1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol (PubChem CID 103451663) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol
PubChem CID103451663
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol
SMILESOC(C1CCOC2(CCOCC2)C1)C1(O)CCCCC1
InChIInChI=1S/C16H28O4/c17-14(16(18)5-2-1-3-6-16)13-4-9-20-15(12-13)7-10-19-11-8-15/h13-14,17-18H,1-12H2
InChIKeyHGIRFHDKVZKKMF-UHFFFAOYSA-N
XLogP2.02
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol
CID 103452199
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79913146
(1-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106830968
1,9-dioxaspiro[5.5]undecan-4-yl-(2-methylthiolan-2-yl)methanol
CID 105113937
2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol
CID 116753294
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
CID 79923333
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol
CID 115820899
1-[hydroxy(oxan-3-yl)methyl]cyclopentan-1-ol
CID 107136247
1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol
CID 103459246

Frequently Asked Questions

What is the IUPAC name of 1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol (CID 103451663) is 1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol is OC(C1CCOC2(CCOCC2)C1)C1(O)CCCCC1.
What is the InChIKey of 1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol?
The InChIKey is HGIRFHDKVZKKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c17-14(16(18)5-2-1-3-6-16)13-4-9-20-15(12-13)7-10-19-11-8-15/h13-14,17-18H,1-12H2.
What are the key properties of 1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol?
1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol is sourced from PubChem (CID 103451663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).