(11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol

C19H27NO4 — CID 139384919

IUPAC(11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol
SMILESOCC1CN(Cc2ccccc2)CC2(CCCC3(C2)OCCO3)O1
InChIInChI=1S/C19H27NO4/c21-13-17-12-20(11-16-5-2-1-3-6-16)15-18(24-17)7-4-8-19(14-18)22-9-10-23-19/h1-3,5-6,17,21H,4,7-15H2
InChIKeyNFQVZWQGALWWMN-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.94
Rot. Bonds3

About (11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol

(11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol (PubChem CID 139384919) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is (11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol.

Molecular Properties

Compound Name(11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol
PubChem CID139384919
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name(11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol
SMILESOCC1CN(Cc2ccccc2)CC2(CCCC3(C2)OCCO3)O1
InChIInChI=1S/C19H27NO4/c21-13-17-12-20(11-16-5-2-1-3-6-16)15-18(24-17)7-4-8-19(14-18)22-9-10-23-19/h1-3,5-6,17,21H,4,7-15H2
InChIKeyNFQVZWQGALWWMN-UHFFFAOYSA-N
XLogP1.94
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol with MolForge

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Related Compounds

[(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol
CID 100975653
(7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde
CID 118356567
(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methanol
CID 22744409
(1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane]
CID 71514471
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
9-benzyl-1,4-dioxa-9-azaspiro[4.7]dodecane-7-carbaldehyde
CID 89024276
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
2-benzyl-6-oxa-2-azaspiro[4.5]decane
CID 82390526
8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol
CID 132941698
2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane
CID 138976884
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777343
9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
CID 91830355

Frequently Asked Questions

What is the IUPAC name of (11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol?
The IUPAC name of (11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol (CID 139384919) is (11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol.
What is the SMILES notation for (11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol?
The canonical SMILES for (11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol is OCC1CN(Cc2ccccc2)CC2(CCCC3(C2)OCCO3)O1.
What is the InChIKey of (11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol?
The InChIKey is NFQVZWQGALWWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c21-13-17-12-20(11-16-5-2-1-3-6-16)15-18(24-17)7-4-8-19(14-18)22-9-10-23-19/h1-3,5-6,17,21H,4,7-15H2.
What are the key properties of (11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol?
(11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol has a molecular weight of 333.43 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol is sourced from PubChem (CID 139384919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).