trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylic acid;yttrium

C9H13O2Y- — CID 59107384

IUPACtrans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylic acid;yttrium
SMILESC/[C-]=C\[C@@H]1[C@H](C(=O)O)C1(C)C.[Y]
InChIInChI=1S/C9H13O2.Y/c1-4-5-6-7(8(10)11)9(6,2)3;/h5-7H,1-3H3,(H,10,11);/q-1;/t6-,7-;/m1./s1
InChIKeyWHDRAYACROOJBW-ZJLYAJKPSA-N
MW242.11 g/mol
LogP1.72
Rot. Bonds2

About trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylic acid;yttrium

trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylic acid;yttrium (PubChem CID 59107384) has the molecular formula C9H13O2Y- and a molecular weight of 242.11 g/mol. Its IUPAC name is trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylic acid;yttrium.

Molecular Properties

Compound Nametrans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylic acid;yttrium
PubChem CID59107384
Molecular FormulaC9H13O2Y-
Molecular Weight242.11 g/mol
Exact Mass242.00
IUPAC Nametrans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylic acid;yttrium
SMILESC/[C-]=C\[C@@H]1[C@H](C(=O)O)C1(C)C.[Y]
InChIInChI=1S/C9H13O2.Y/c1-4-5-6-7(8(10)11)9(6,2)3;/h5-7H,1-3H3,(H,10,11);/q-1;/t6-,7-;/m1./s1
InChIKeyWHDRAYACROOJBW-ZJLYAJKPSA-N
XLogP1.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium
CID 59107380
trans-(1R,3R)-3-[(E)-2-fluoroethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 68567072
trans-(1S,3R)-3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 70394950
CID 170844573
CID 170844573
cis-(1S,3S)-3-(2,2-diaminoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 141128564
trans-(1R,3S)-2,2-dimethyl-3-[(E)-3-oxoprop-1-enyl]cyclopropane-1-carboxylic acid
CID 131239439
cis-(1R,3R)-2,2-dimethyl-3-(3-oxobut-1-enyl)cyclopropane-1-carboxylic acid
CID 57004186
cis-(1S,3S)-3-[(Z)-but-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 139891472
trans-(1R,3S)-2,2-dimethyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]cyclopropane-1-carboxylic acid
CID 66824291
3-[(E)-2-aminoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 163472369
3-[(E)-2-chloro-2-fluoroethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 14770506
cis-(1R,3R)-2,2-dimethyl-3-[(E)-2-methyl-3-oxoprop-1-enyl]cyclopropane-1-carboxylic acid
CID 87498883

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylic acid;yttrium?
The IUPAC name of trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylic acid;yttrium (CID 59107384) is trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylic acid;yttrium.
What is the SMILES notation for trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylic acid;yttrium?
The canonical SMILES for trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylic acid;yttrium is C/[C-]=C\[C@@H]1[C@H](C(=O)O)C1(C)C.[Y].
What is the InChIKey of trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylic acid;yttrium?
The InChIKey is WHDRAYACROOJBW-ZJLYAJKPSA-N. The full InChI is InChI=1S/C9H13O2.Y/c1-4-5-6-7(8(10)11)9(6,2)3;/h5-7H,1-3H3,(H,10,11);/q-1;/t6-,7-;/m1./s1.
What are the key properties of trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylic acid;yttrium?
trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylic acid;yttrium has a molecular weight of 242.11 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylic acid;yttrium is sourced from PubChem (CID 59107384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).