2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol

C16H28O3 — CID 79913506

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C16H28O3/c1-12-3-2-4-13(9-12)15(17)14-5-7-19-16(10-14)6-8-18-11-16/h12-15,17H,2-11H2,1H3
InChIKeyVDXVQZWJAILONT-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.76
Rot. Bonds2

About 2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol

2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol (PubChem CID 79913506) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol
PubChem CID79913506
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C16H28O3/c1-12-3-2-4-13(9-12)15(17)14-5-7-19-16(10-14)6-8-18-11-16/h12-15,17H,2-11H2,1H3
InChIKeyVDXVQZWJAILONT-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

Analyze 2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol with MolForge

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Related Compounds

(3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 79913976
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79913146
1,9-dioxaspiro[5.5]undecan-4-yl-(3-methylcyclohexyl)methanamine
CID 79914941
(2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 107192711
(2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 107192712
cyclohex-3-en-1-yl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913757
2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754417
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
(3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914646
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol
CID 79921673

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol (CID 79913506) is 2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol is CC1CCCC(C(O)C2CCOC3(CCOC3)C2)C1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol?
The InChIKey is VDXVQZWJAILONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-12-3-2-4-13(9-12)15(17)14-5-7-19-16(10-14)6-8-18-11-16/h12-15,17H,2-11H2,1H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol?
2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)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 2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol is sourced from PubChem (CID 79913506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).