CID 101368253

C12H21O3 — CID 101368253

IUPAC—
SMILESCC(C)(C)OC(=O)CC[CH][C@@H]1CCCO1
InChIInChI=1S/C12H21O3/c1-12(2,3)15-11(13)8-4-6-10-7-5-9-14-10/h6,10H,4-5,7-9H2,1-3H3/t10-/m1/s1
InChIKeyAISBZDARZTXTCV-SNVBAGLBSA-N
MW213.30 g/mol
LogP2.49
Rot. Bonds4

About CID 101368253

CID 101368253 (PubChem CID 101368253) has the molecular formula C12H21O3 and a molecular weight of 213.30 g/mol.

Molecular Properties

Compound NameCID 101368253
PubChem CID101368253
Molecular FormulaC12H21O3
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name—
SMILESCC(C)(C)OC(=O)CC[CH][C@@H]1CCCO1
InChIInChI=1S/C12H21O3/c1-12(2,3)15-11(13)8-4-6-10-7-5-9-14-10/h6,10H,4-5,7-9H2,1-3H3/t10-/m1/s1
InChIKeyAISBZDARZTXTCV-SNVBAGLBSA-N
XLogP2.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 101368257
CID 101368257
tert-butyl 4,4-bis[4-(oxolan-2-yloxy)phenyl]pentanoate
CID 18680587
tert-butyl hex-4-enoate
CID 86102608
tert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate
CID 100668130
tert-butyl 2-[3-(1,3-dioxolan-2-yl)propylideneamino]acetate
CID 15882717
tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate
CID 114119970
ditert-butyl pentanedioate
CID 3016405
tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate
CID 81463041
tert-butyl N-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 66626438
(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid
CID 178113941
tert-butyl 4-(cyclobutylamino)-4-oxobutanoate
CID 106707367
tert-butyl 9-(oxiran-2-yl)nonanoate
CID 121288864

Frequently Asked Questions

What is the IUPAC name of CID 101368253?
The IUPAC name of CID 101368253 (CID 101368253) is not available.
What is the SMILES notation for CID 101368253?
The canonical SMILES for CID 101368253 is CC(C)(C)OC(=O)CC[CH][C@@H]1CCCO1.
What is the InChIKey of CID 101368253?
The InChIKey is AISBZDARZTXTCV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21O3/c1-12(2,3)15-11(13)8-4-6-10-7-5-9-14-10/h6,10H,4-5,7-9H2,1-3H3/t10-/m1/s1.
What are the key properties of CID 101368253?
CID 101368253 has a molecular weight of 213.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101368253 is sourced from PubChem (CID 101368253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).