(1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one

C19H32O6 — CID 134844305

IUPAC(1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one
SMILESCCC[C@H]1C[C@@H](OC)CCC[C@@H]2CC3(C[C@H](CC(=O)O1)O2)OCCO3
InChIInChI=1S/C19H32O6/c1-3-5-15-10-14(21-2)6-4-7-16-12-19(22-8-9-23-19)13-17(24-16)11-18(20)25-15/h14-17H,3-13H2,1-2H3/t14-,15-,16+,17-/m0/s1
InChIKeyFQGYQVVNYCJMOQ-NXOAAHMSSA-N
MW356.46 g/mol
LogP2.97
Rot. Bonds3

About (1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one

(1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one (PubChem CID 134844305) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is (1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one.

Molecular Properties

Compound Name(1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one
PubChem CID134844305
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Name(1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one
SMILESCCC[C@H]1C[C@@H](OC)CCC[C@@H]2CC3(C[C@H](CC(=O)O1)O2)OCCO3
InChIInChI=1S/C19H32O6/c1-3-5-15-10-14(21-2)6-4-7-16-12-19(22-8-9-23-19)13-17(24-16)11-18(20)25-15/h14-17H,3-13H2,1-2H3/t14-,15-,16+,17-/m0/s1
InChIKeyFQGYQVVNYCJMOQ-NXOAAHMSSA-N
XLogP2.97
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one with MolForge

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Related Compounds

Octadecanoic acid, 1,4-dioxaspiro[4.5]dec-2-ylmethyl ester
CID 57375926
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate
CID 71587572
ethyl 2,2-difluoro-2-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrabutoxy-6-(butoxymethyl)oxan-2-yl]acetate
CID 89674301
ethyl 2,2-difluoro-2-[(3R,4S,5S,6R)-2,3,4,5-tetrabutoxy-6-(butoxymethyl)oxan-2-yl]acetate
CID 117930540
ethyl 2,2-difluoro-2-[(2R,3R,4S,5S)-2,3,4,5-tetrabutoxy-6-(butoxymethyl)oxan-2-yl]acetate
CID 117930544
Ethyl 2,2-difluoro-2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate
CID 163240151
Ethyl 2,2-difluoro-2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate;ethyl 2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate
CID 165098048
(3aR,4R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one
CID 10849780
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(3-oxononoxy)oxan-2-yl]methyl acetate
CID 10961971
methyl 2-[(4S,6R)-2,2-dimethyl-6-tridecyl-1,3-dioxan-4-yl]acetate
CID 11474186
Ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate
CID 14101474
ethyl 2-[(4R,6R)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]acetate
CID 25059017

Frequently Asked Questions

What is the IUPAC name of (1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one?
The IUPAC name of (1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one (CID 134844305) is (1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one.
What is the SMILES notation for (1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one?
The canonical SMILES for (1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one is CCC[C@H]1C[C@@H](OC)CCC[C@@H]2CC3(C[C@H](CC(=O)O1)O2)OCCO3.
What is the InChIKey of (1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one?
The InChIKey is FQGYQVVNYCJMOQ-NXOAAHMSSA-N. The full InChI is InChI=1S/C19H32O6/c1-3-5-15-10-14(21-2)6-4-7-16-12-19(22-8-9-23-19)13-17(24-16)11-18(20)25-15/h14-17H,3-13H2,1-2H3/t14-,15-,16+,17-/m0/s1.
What are the key properties of (1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one?
(1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one has a molecular weight of 356.46 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one is sourced from PubChem (CID 134844305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).