2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol

C17H30O4 — CID 116754417

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol
SMILESCOC1(C(O)C2CCOC3(CCOC3)C2)CCC(C)CC1
InChIInChI=1S/C17H30O4/c1-13-3-6-17(19-2,7-4-13)15(18)14-5-9-21-16(11-14)8-10-20-12-16/h13-15,18H,3-12H2,1-2H3
InChIKeyBEPAZFOPOUWYNY-UHFFFAOYSA-N
MW298.42 g/mol
LogP2.53
Rot. Bonds3

About 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol

2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol (PubChem CID 116754417) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol
PubChem CID116754417
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol
SMILESCOC1(C(O)C2CCOC3(CCOC3)C2)CCC(C)CC1
InChIInChI=1S/C17H30O4/c1-13-3-6-17(19-2,7-4-13)15(18)14-5-9-21-16(11-14)8-10-20-12-16/h13-15,18H,3-12H2,1-2H3
InChIKeyBEPAZFOPOUWYNY-UHFFFAOYSA-N
XLogP2.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol
CID 116753294
2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764369
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol
CID 79921673
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
(4-methoxyoxan-4-yl)-(oxan-4-yl)methanol
CID 116753889
2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
CID 79914092
methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
CID 79905755
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764435
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
(2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 107192711
(3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol
CID 116754065

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol (CID 116754417) is 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol is COC1(C(O)C2CCOC3(CCOC3)C2)CCC(C)CC1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol?
The InChIKey is BEPAZFOPOUWYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4/c1-13-3-6-17(19-2,7-4-13)15(18)14-5-9-21-16(11-14)8-10-20-12-16/h13-15,18H,3-12H2,1-2H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol?
2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol has a molecular weight of 298.42 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol is sourced from PubChem (CID 116754417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).