(6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one

C19H30O5 — CID 10854509

IUPAC(6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one
SMILESCC(C)[C@@H]1CC[C@@H](C)[C@]2(C1)OC(=O)C[C@@]1(CCCC13OCCO3)O2
InChIInChI=1S/C19H30O5/c1-13(2)15-6-5-14(3)18(11-15)23-16(20)12-17(24-18)7-4-8-19(17)21-9-10-22-19/h13-15H,4-12H2,1-3H3/t14-,15-,17-,18-/m1/s1
InChIKeyKROCGQGTQHMMAU-JOCBIADPSA-N
MW338.44 g/mol
LogP3.40
Rot. Bonds1

About (6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one

(6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one (PubChem CID 10854509) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is (6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one.

Molecular Properties

Compound Name(6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one
PubChem CID10854509
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Name(6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one
SMILESCC(C)[C@@H]1CC[C@@H](C)[C@]2(C1)OC(=O)C[C@@]1(CCCC13OCCO3)O2
InChIInChI=1S/C19H30O5/c1-13(2)15-6-5-14(3)18(11-15)23-16(20)12-17(24-18)7-4-8-19(17)21-9-10-22-19/h13-15H,4-12H2,1-3H3/t14-,15-,17-,18-/m1/s1
InChIKeyKROCGQGTQHMMAU-JOCBIADPSA-N
XLogP3.40
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one with MolForge

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Related Compounds

(6R,8S,9S,12R)-12-methyl-9-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one
CID 23244061
8,8-Dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one
CID 10681626
(4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one
CID 10495177
(6S,8R,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one
CID 10497236
(6S,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one
CID 10569026
(4R,5R,7S,8S,11R)-4-(1,3-dioxolan-2-ylmethyl)-11-methyl-8-propan-2-yl-6,13-dioxadispiro[4.1.57.35]pentadecan-14-one
CID 10570942
(2S,6S,8R,11R)-11-methyl-2-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one
CID 10709064
(4R,6R,8R,11R)-4,11-dimethyl-4-[(2S)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one
CID 10733761
(6R,8R,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one
CID 10759459
(2R,6R,8R,11R)-11-methyl-2-[(2S)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one
CID 10780280
(2R,6R,8R,11R)-11-methyl-2-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one
CID 10780281
CID 10781252
CID 10781252

Frequently Asked Questions

What is the IUPAC name of (6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one?
The IUPAC name of (6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one (CID 10854509) is (6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one.
What is the SMILES notation for (6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one?
The canonical SMILES for (6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one is CC(C)[C@@H]1CC[C@@H](C)[C@]2(C1)OC(=O)C[C@@]1(CCCC13OCCO3)O2.
What is the InChIKey of (6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one?
The InChIKey is KROCGQGTQHMMAU-JOCBIADPSA-N. The full InChI is InChI=1S/C19H30O5/c1-13(2)15-6-5-14(3)18(11-15)23-16(20)12-17(24-18)7-4-8-19(17)21-9-10-22-19/h13-15H,4-12H2,1-3H3/t14-,15-,17-,18-/m1/s1.
What are the key properties of (6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one?
(6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one has a molecular weight of 338.44 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one is sourced from PubChem (CID 10854509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).