propan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate

C18H32O6 — CID 155735546

IUPACpropan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate
SMILESCC(C)OC(=O)C1C(C)C1CC[C@@H](C)OC1O[C@@H](C)C(O)C[C@H]1O
InChIInChI=1S/C18H32O6/c1-9(2)22-17(21)16-11(4)13(16)7-6-10(3)23-18-15(20)8-14(19)12(5)24-18/h9-16,18-20H,6-8H2,1-5H3/t10-,11?,12+,13?,14?,15-,16?,18?/m1/s1
InChIKeyXTYFBZGRGVKQTN-UBPGYFTASA-N
MW344.45 g/mol
LogP1.86
Rot. Bonds7

About propan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate

propan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate (PubChem CID 155735546) has the molecular formula C18H32O6 and a molecular weight of 344.45 g/mol. Its IUPAC name is propan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate
PubChem CID155735546
Molecular FormulaC18H32O6
Molecular Weight344.45 g/mol
Exact Mass344.22
IUPAC Namepropan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate
SMILESCC(C)OC(=O)C1C(C)C1CC[C@@H](C)OC1O[C@@H](C)C(O)C[C@H]1O
InChIInChI=1S/C18H32O6/c1-9(2)22-17(21)16-11(4)13(16)7-6-10(3)23-18-15(20)8-14(19)12(5)24-18/h9-16,18-20H,6-8H2,1-5H3/t10-,11?,12+,13?,14?,15-,16?,18?/m1/s1
InChIKeyXTYFBZGRGVKQTN-UBPGYFTASA-N
XLogP1.86
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

cis-2-ethylbutyl (1R,2S)-2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate
CID 155725478
ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate
CID 155320900
(7R)-7-[(3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxyoctan-2-one
CID 144528479
(3R)-3-[(2R,3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutanoic acid
CID 122544007
(8R)-8-[(2R,3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxynonanoic acid
CID 90448377
(10R)-10-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyundecanoic acid
CID 71514784
(20R)-20-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhenicosanoic acid
CID 86289709
cis-2-ethylbutyl (1R,2R)-2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate
CID 155725463
(2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol
CID 130917816
(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoic acid
CID 86289656
(E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-methylhept-2-enamide
CID 155735475
(E)-8-[(2R,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxynon-4-en-3-one
CID 167492292

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate?
The IUPAC name of propan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate (CID 155735546) is propan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate.
What is the SMILES notation for propan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate?
The canonical SMILES for propan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate is CC(C)OC(=O)C1C(C)C1CC[C@@H](C)OC1O[C@@H](C)C(O)C[C@H]1O.
What is the InChIKey of propan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate?
The InChIKey is XTYFBZGRGVKQTN-UBPGYFTASA-N. The full InChI is InChI=1S/C18H32O6/c1-9(2)22-17(21)16-11(4)13(16)7-6-10(3)23-18-15(20)8-14(19)12(5)24-18/h9-16,18-20H,6-8H2,1-5H3/t10-,11?,12+,13?,14?,15-,16?,18?/m1/s1.
What are the key properties of propan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate?
propan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate has a molecular weight of 344.45 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 155735546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).