trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium

C9H12ClOY- — CID 59107380

IUPACtrans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium
SMILESC/[C-]=C\[C@@H]1[C@H](C(=O)Cl)C1(C)C.[Y]
InChIInChI=1S/C9H12ClO.Y/c1-4-5-6-7(8(10)11)9(6,2)3;/h5-7H,1-3H3;/q-1;/t6-,7-;/m1./s1
InChIKeyWNRJLOLTVUQXGV-ZJLYAJKPSA-N
MW260.55 g/mol
LogP2.40
Rot. Bonds2

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

trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium (PubChem CID 59107380) has the molecular formula C9H12ClOY- and a molecular weight of 260.55 g/mol. Its IUPAC name is trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium.

Molecular Properties

Compound Nametrans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium
PubChem CID59107380
Molecular FormulaC9H12ClOY-
Molecular Weight260.55 g/mol
Exact Mass259.96
IUPAC Nametrans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium
SMILESC/[C-]=C\[C@@H]1[C@H](C(=O)Cl)C1(C)C.[Y]
InChIInChI=1S/C9H12ClO.Y/c1-4-5-6-7(8(10)11)9(6,2)3;/h5-7H,1-3H3;/q-1;/t6-,7-;/m1./s1
InChIKeyWNRJLOLTVUQXGV-ZJLYAJKPSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.55
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylic acid;yttrium
CID 59107384
2,2-dimethyl-3-[(E)-3-oxobut-1-enyl]cyclopropane-1-carbonyl chloride
CID 88716019
trans-(1R,3S)-3-(2-cyanoethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 159613129
methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate
CID 12807756
3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 11983901
cis-(1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 86736786
3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 57302576
trans-(1R,3S)-3-(cyclobutylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 45081793
cis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 12952597
ethyl (E)-3-[(1S,3R)-3-carbonochloridoyl-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate
CID 15017051
cis-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88637023
trans-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 98114590

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium?
The IUPAC name of trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium (CID 59107380) is trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium.
What is the SMILES notation for trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium?
The canonical SMILES for trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium is C/[C-]=C\[C@@H]1[C@H](C(=O)Cl)C1(C)C.[Y].
What is the InChIKey of trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium?
The InChIKey is WNRJLOLTVUQXGV-ZJLYAJKPSA-N. The full InChI is InChI=1S/C9H12ClO.Y/c1-4-5-6-7(8(10)11)9(6,2)3;/h5-7H,1-3H3;/q-1;/t6-,7-;/m1./s1.
What are the key properties of trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium?
trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium has a molecular weight of 260.55 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 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-carbonyl chloride;yttrium is sourced from PubChem (CID 59107380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).