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

C16H28O3 — CID 107192711

IUPAC(2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
SMILESCC1(C)CCCC1C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H28O3/c1-15(2)6-3-4-13(15)14(17)12-5-8-19-16(10-12)7-9-18-11-16/h12-14,17H,3-11H2,1-2H3
InChIKeyJNYJROXEQYLYMP-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.76
Rot. Bonds2

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

(2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol (PubChem CID 107192711) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
PubChem CID107192711
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name(2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
SMILESCC1(C)CCCC1C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H28O3/c1-15(2)6-3-4-13(15)14(17)12-5-8-19-16(10-12)7-9-18-11-16/h12-14,17H,3-11H2,1-2H3
InChIKeyJNYJROXEQYLYMP-UHFFFAOYSA-N
XLogP2.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 107192712
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
1-(2,2-dimethylcyclohexyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 107190198
2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol
CID 79913506
(2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol
CID 107192269
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79913146
2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol
CID 115386175
2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol
CID 116753294
cyclobutyl-(2,2-dimethylcyclopentyl)methanol
CID 107192993
cyclohex-3-en-1-yl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913757
2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol
CID 79921502
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol
CID 103459636

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol (CID 107192711) is (2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol is CC1(C)CCCC1C(O)C1CCOC2(CCOC2)C1.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is JNYJROXEQYLYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-15(2)6-3-4-13(15)14(17)12-5-8-19-16(10-12)7-9-18-11-16/h12-14,17H,3-11H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
(2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 268.40 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 107192711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).