3'-(methoxymethyl)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]

C16H29NO3 — CID 70361014

IUPAC3'-(methoxymethyl)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]
SMILESCCCN1CC(COC)CC2CC3(CCC21)OCCO3
InChIInChI=1S/C16H29NO3/c1-3-6-17-11-13(12-18-2)9-14-10-16(5-4-15(14)17)19-7-8-20-16/h13-15H,3-12H2,1-2H3
InChIKeyOPWLLZRADXOECD-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.28
Rot. Bonds4

About 3'-(methoxymethyl)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]

3'-(methoxymethyl)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline] (PubChem CID 70361014) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 3'-(methoxymethyl)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline].

Molecular Properties

Compound Name3'-(methoxymethyl)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]
PubChem CID70361014
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name3'-(methoxymethyl)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]
SMILESCCCN1CC(COC)CC2CC3(CCC21)OCCO3
InChIInChI=1S/C16H29NO3/c1-3-6-17-11-13(12-18-2)9-14-10-16(5-4-15(14)17)19-7-8-20-16/h13-15H,3-12H2,1-2H3
InChIKeyOPWLLZRADXOECD-UHFFFAOYSA-N
XLogP2.28
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3'-(methoxymethyl)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]?
The IUPAC name of 3'-(methoxymethyl)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline] (CID 70361014) is 3'-(methoxymethyl)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline].
What is the SMILES notation for 3'-(methoxymethyl)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]?
The canonical SMILES for 3'-(methoxymethyl)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline] is CCCN1CC(COC)CC2CC3(CCC21)OCCO3.
What is the InChIKey of 3'-(methoxymethyl)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]?
The InChIKey is OPWLLZRADXOECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-6-17-11-13(12-18-2)9-14-10-16(5-4-15(14)17)19-7-8-20-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 3'-(methoxymethyl)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]?
3'-(methoxymethyl)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline] has a molecular weight of 283.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(methoxymethyl)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline] is sourced from PubChem (CID 70361014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).