CID 58940320

C12H23OY- — CID 58940320

IUPAC—
SMILESCC[C@@H]1[CH-]C(C)C(C)C(C)C(C)O1.[Y]
InChIInChI=1S/C12H23O.Y/c1-6-12-7-8(2)9(3)10(4)11(5)13-12;/h7-12H,6H2,1-5H3;/q-1;/t8?,9?,10?,11?,12-;/m1./s1
InChIKeyFPPWRCWMBTUGKY-VRTNWHCDSA-N
MW272.22 g/mol
LogP3.29
Rot. Bonds1

About CID 58940320

CID 58940320 (PubChem CID 58940320) has the molecular formula C12H23OY- and a molecular weight of 272.22 g/mol.

Molecular Properties

Compound NameCID 58940320
PubChem CID58940320
Molecular FormulaC12H23OY-
Molecular Weight272.22 g/mol
Exact Mass272.08
IUPAC Name—
SMILESCC[C@@H]1[CH-]C(C)C(C)C(C)C(C)O1.[Y]
InChIInChI=1S/C12H23O.Y/c1-6-12-7-8(2)9(3)10(4)11(5)13-12;/h7-12H,6H2,1-5H3;/q-1;/t8?,9?,10?,11?,12-;/m1./s1
InChIKeyFPPWRCWMBTUGKY-VRTNWHCDSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-ethyl-3,4,5-trimethyloxolane
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(2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane
CID 59944457
(3S,4R,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91273556
(3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91456258
carbanide;(2S)-1-ethyl-2,3-dimethylcyclobutane;yttrium
CID 163461785
(3R,4S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 90919001
(5R)-2,3,4,5,6-pentamethyloxane
CID 59269885
(2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol
CID 163662834
2-ethyl-1,3-dimethylcyclobutane;yttrium
CID 59776218
2-ethyl-3-methoxy-4,5,6-trimethyloxane
CID 20632118
(3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane
CID 159477864
(2R,3S,4S,5R,6R)-2-methanidyl-3,4,5,6-tetramethyloxane;yttrium
CID 59027829

Frequently Asked Questions

What is the IUPAC name of CID 58940320?
The IUPAC name of CID 58940320 (CID 58940320) is not available.
What is the SMILES notation for CID 58940320?
The canonical SMILES for CID 58940320 is CC[C@@H]1[CH-]C(C)C(C)C(C)C(C)O1.[Y].
What is the InChIKey of CID 58940320?
The InChIKey is FPPWRCWMBTUGKY-VRTNWHCDSA-N. The full InChI is InChI=1S/C12H23O.Y/c1-6-12-7-8(2)9(3)10(4)11(5)13-12;/h7-12H,6H2,1-5H3;/q-1;/t8?,9?,10?,11?,12-;/m1./s1.
What are the key properties of CID 58940320?
CID 58940320 has a molecular weight of 272.22 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58940320 is sourced from PubChem (CID 58940320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).