(9-ethenyl-7-ethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol

C15H27NO4 — CID 142146353

IUPAC(9-ethenyl-7-ethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
SMILESC=CC1(C)CC2(OCC(CO)O2)C(C)C(C)(CC)N1O
InChIInChI=1S/C15H27NO4/c1-6-13(4)10-15(19-9-12(8-17)20-15)11(3)14(5,7-2)16(13)18/h6,11-12,17-18H,1,7-10H2,2-5H3
InChIKeyPEHXSUREQLWUDD-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.93
Rot. Bonds3

About (9-ethenyl-7-ethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol

(9-ethenyl-7-ethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol (PubChem CID 142146353) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is (9-ethenyl-7-ethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol.

Molecular Properties

Compound Name(9-ethenyl-7-ethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
PubChem CID142146353
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name(9-ethenyl-7-ethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
SMILESC=CC1(C)CC2(OCC(CO)O2)C(C)C(C)(CC)N1O
InChIInChI=1S/C15H27NO4/c1-6-13(4)10-15(19-9-12(8-17)20-15)11(3)14(5,7-2)16(13)18/h6,11-12,17-18H,1,7-10H2,2-5H3
InChIKeyPEHXSUREQLWUDD-UHFFFAOYSA-N
XLogP1.93
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-decyl-7,9-diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 68838027
7,9-diethyl-8-hydroxy-3,6,7,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 68840597
[(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol
CID 131089318
[(3S)-8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate
CID 142185067
[(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol
CID 99492998
(7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
CID 68841232
(2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol
CID 130147634
[(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 71445983
(2-hexyl-2-methyl-1,3-dioxolan-4-yl)methanol
CID 21868
(2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol
CID 58883730
3,7,9-triethyl-6,7,9-trimethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane
CID 91145846
[2-(1-ethylpyrrolidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 117168924

Frequently Asked Questions

What is the IUPAC name of (9-ethenyl-7-ethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol?
The IUPAC name of (9-ethenyl-7-ethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol (CID 142146353) is (9-ethenyl-7-ethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol.
What is the SMILES notation for (9-ethenyl-7-ethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol?
The canonical SMILES for (9-ethenyl-7-ethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol is C=CC1(C)CC2(OCC(CO)O2)C(C)C(C)(CC)N1O.
What is the InChIKey of (9-ethenyl-7-ethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol?
The InChIKey is PEHXSUREQLWUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-6-13(4)10-15(19-9-12(8-17)20-15)11(3)14(5,7-2)16(13)18/h6,11-12,17-18H,1,7-10H2,2-5H3.
What are the key properties of (9-ethenyl-7-ethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol?
(9-ethenyl-7-ethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol has a molecular weight of 285.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethenyl-7-ethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol is sourced from PubChem (CID 142146353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).