cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol

C15H26O3 — CID 79913146

IUPACcyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(C1CCCC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H26O3/c16-14(12-3-1-2-4-12)13-5-8-18-15(11-13)6-9-17-10-7-15/h12-14,16H,1-11H2
InChIKeyFBXNXNPTNJDHHU-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.51
Rot. Bonds2

About cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol

cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol (PubChem CID 79913146) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Namecyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
PubChem CID79913146
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Namecyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(C1CCCC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H26O3/c16-14(12-3-1-2-4-12)13-5-8-18-15(11-13)6-9-17-10-7-15/h12-14,16H,1-11H2
InChIKeyFBXNXNPTNJDHHU-UHFFFAOYSA-N
XLogP2.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899192
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol
CID 115820899
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol
CID 80622914
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol
CID 79913378
2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol
CID 79913506
[cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105204290
1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol
CID 103451663
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
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 cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol (CID 79913146) is cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol is OC(C1CCCC1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is FBXNXNPTNJDHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c16-14(12-3-1-2-4-12)13-5-8-18-15(11-13)6-9-17-10-7-15/h12-14,16H,1-11H2.
What are the key properties of cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 254.37 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 79913146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).