(2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol

C17H30O3 — CID 107192712

IUPAC(2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
SMILESCC1(C)CCCCC1C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H30O3/c1-16(2)7-4-3-5-14(16)15(18)13-6-9-20-17(11-13)8-10-19-12-17/h13-15,18H,3-12H2,1-2H3
InChIKeyUBZDFSQYKHPUTG-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.15
Rot. Bonds2

About (2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol

(2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol (PubChem CID 107192712) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
PubChem CID107192712
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
SMILESCC1(C)CCCCC1C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H30O3/c1-16(2)7-4-3-5-14(16)15(18)13-6-9-20-17(11-13)8-10-19-12-17/h13-15,18H,3-12H2,1-2H3
InChIKeyUBZDFSQYKHPUTG-UHFFFAOYSA-N
XLogP3.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 107192711
1-(2,2-dimethylcyclohexyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 107190198
(2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol
CID 107192269
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol
CID 79913506
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79913146
2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol
CID 116753294
2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol
CID 115386175
cyclohex-3-en-1-yl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913757
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol
CID 114200597
2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol
CID 79921502
1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol
CID 115820899

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol (CID 107192712) is (2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol is CC1(C)CCCCC1C(O)C1CCOC2(CCOC2)C1.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is UBZDFSQYKHPUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-16(2)7-4-3-5-14(16)15(18)13-6-9-20-17(11-13)8-10-19-12-17/h13-15,18H,3-12H2,1-2H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
(2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 282.42 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 107192712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).