7,7,9,9-tetramethyl-8-[(2-methylphenyl)methoxy]-1,4-dioxa-8-azaspiro[4.5]decane

C19H29NO3 — CID 19768380

IUPAC7,7,9,9-tetramethyl-8-[(2-methylphenyl)methoxy]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1ccccc1CON1C(C)(C)CC2(CC1(C)C)OCCO2
InChIInChI=1S/C19H29NO3/c1-15-8-6-7-9-16(15)12-23-20-17(2,3)13-19(14-18(20,4)5)21-10-11-22-19/h6-9H,10-14H2,1-5H3
InChIKeyKBMHGZUKQODARA-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.82
Rot. Bonds3

About 7,7,9,9-tetramethyl-8-[(2-methylphenyl)methoxy]-1,4-dioxa-8-azaspiro[4.5]decane

7,7,9,9-tetramethyl-8-[(2-methylphenyl)methoxy]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 19768380) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 7,7,9,9-tetramethyl-8-[(2-methylphenyl)methoxy]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name7,7,9,9-tetramethyl-8-[(2-methylphenyl)methoxy]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID19768380
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name7,7,9,9-tetramethyl-8-[(2-methylphenyl)methoxy]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1ccccc1CON1C(C)(C)CC2(CC1(C)C)OCCO2
InChIInChI=1S/C19H29NO3/c1-15-8-6-7-9-16(15)12-23-20-17(2,3)13-19(14-18(20,4)5)21-10-11-22-19/h6-9H,10-14H2,1-5H3
InChIKeyKBMHGZUKQODARA-UHFFFAOYSA-N
XLogP3.82
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane
CID 70569993
7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane
CID 90711548
[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methanol
CID 142744550
10,10-diethyl-8,8-dimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90694059
N-[(2-methylphenyl)methoxy]methanimine
CID 54167357
methoxymethane;2,2,6,6-tetramethyl-1-phenylmethoxypiperidine
CID 142146292
2,2,4-trimethyl-5-[(2-methylphenyl)methoxy]-1,3-dioxane
CID 70594186
N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60943738
ethane;1-(ethoxymethyl)-2-methylbenzene
CID 143583110
ethane;(2-methylphenyl)methyl acetate
CID 143177732
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55573054
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765

Frequently Asked Questions

What is the IUPAC name of 7,7,9,9-tetramethyl-8-[(2-methylphenyl)methoxy]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 7,7,9,9-tetramethyl-8-[(2-methylphenyl)methoxy]-1,4-dioxa-8-azaspiro[4.5]decane (CID 19768380) is 7,7,9,9-tetramethyl-8-[(2-methylphenyl)methoxy]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 7,7,9,9-tetramethyl-8-[(2-methylphenyl)methoxy]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 7,7,9,9-tetramethyl-8-[(2-methylphenyl)methoxy]-1,4-dioxa-8-azaspiro[4.5]decane is Cc1ccccc1CON1C(C)(C)CC2(CC1(C)C)OCCO2.
What is the InChIKey of 7,7,9,9-tetramethyl-8-[(2-methylphenyl)methoxy]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is KBMHGZUKQODARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-15-8-6-7-9-16(15)12-23-20-17(2,3)13-19(14-18(20,4)5)21-10-11-22-19/h6-9H,10-14H2,1-5H3.
What are the key properties of 7,7,9,9-tetramethyl-8-[(2-methylphenyl)methoxy]-1,4-dioxa-8-azaspiro[4.5]decane?
7,7,9,9-tetramethyl-8-[(2-methylphenyl)methoxy]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 319.44 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9,9-tetramethyl-8-[(2-methylphenyl)methoxy]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 19768380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).